Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T26623 | Target Info | |||
| Target Name | Aldose reductase (AKR1B1) | ||||
| Synonyms | Aldehyde reductase; AKR1B1 | ||||
| Target Type | Successful Target | ||||
| Gene Name | AKR1B1 | ||||
| Biochemical Class | Short-chain dehydrogenases reductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | NADP+ | Ligand Info | |||
| Canonical SMILES | C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N | ||||
| InChI | 1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | ||||
| InChIKey | XJLXINKUBYWONI-NNYOXOHSSA-O | ||||
| PubChem Compound ID | 5886 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4LBS Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | ||||||
| Method | X-ray diffraction | Resolution | 0.76 Å | Mutation | No | [1] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
|
GLY18
3.339
THR19
3.219
TRP20
2.918
LYS21
2.845
ASP43
2.685
TYR48
3.196
LYS77
3.693
HIS110
3.503
TRP111
3.632
SER159
2.848
ASN160
2.914
GLN183
2.902
TYR209
3.153
SER210
2.804
PRO211
3.351
LEU212
2.823
GLY213
3.334
|
|||||
| PDB ID: 3BCJ Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) at 0.78 A | ||||||
| Method | X-ray diffraction | Resolution | 0.78 Å | Mutation | No | [2] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
|
GLY18
3.271
THR19
3.210
TRP20
2.899
LYS21
2.851
ASP43
2.664
TYR48
3.285
LYS77
3.712
HIS110
3.316
TRP111
4.066
SER159
2.826
ASN160
2.938
GLN183
2.893
TYR209
3.136
SER210
2.812
PRO211
3.340
LEU212
2.820
GLY213
3.335
|
|||||
| PDB ID: 4LB3 Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | ||||||
| Method | X-ray diffraction | Resolution | 0.80 Å | Mutation | No | [1] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
|
GLY18
3.345
THR19
3.219
TRP20
2.921
LYS21
2.831
ASP43
2.690
TYR48
3.199
LYS77
3.700
HIS110
3.504
TRP111
3.640
SER159
2.846
ASN160
2.905
GLN183
2.913
TYR209
3.163
SER210
2.807
PRO211
3.350
LEU212
2.822
GLY213
3.319
|
|||||
| PDB ID: 4LB4 Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | ||||||
| Method | X-ray diffraction | Resolution | 0.80 Å | Mutation | No | [1] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.346
THR19
3.224
TRP20
2.923
LYS21
2.837
ASP43
2.688
TYR48
3.196
LYS77
3.692
HIS110
3.530
TRP111
3.540
SER159
2.846
ASN160
2.913
GLN183
2.902
TYR209
3.164
SER210
2.801
PRO211
3.352
LEU212
2.822
GLY213
3.334
|
|||||
| PDB ID: 4LBR Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | ||||||
| Method | X-ray diffraction | Resolution | 0.80 Å | Mutation | No | [1] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.338
THR19
3.227
TRP20
2.917
LYS21
2.837
ASP43
2.691
TYR48
3.195
LYS77
3.700
HIS110
3.500
TRP111
3.644
SER159
2.842
ASN160
2.908
GLN183
2.903
TYR209
3.162
SER210
2.807
PRO211
3.354
LEU212
2.820
GLY213
3.334
|
|||||
| PDB ID: 2J8T Human aldose reductase in complex with NADP and citrate at 0.82 angstrom | ||||||
| Method | X-ray diffraction | Resolution | 0.82 Å | Mutation | No | [3] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.275
THR19
3.204
TRP20
2.910
LYS21
2.861
ASP43
2.673
TYR48
3.272
LYS77
3.690
HIS110
3.281
TRP111
3.931
SER159
2.844
ASN160
2.936
GLN183
2.897
TYR209
3.192
SER210
2.820
PRO211
3.357
LEU212
2.831
GLY213
3.364
|
|||||
| PDB ID: 4LAU Crystal structure of human AR complexed with NADP+ and {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | ||||||
| Method | X-ray diffraction | Resolution | 0.84 Å | Mutation | No | [1] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.340
THR19
3.222
TRP20
2.925
LYS21
2.839
ASP43
2.677
TYR48
3.184
LYS77
3.688
HIS110
3.486
TRP111
3.652
SER159
2.849
ASN160
2.914
GLN183
2.909
TYR209
3.176
SER210
2.807
PRO211
3.356
LEU212
2.829
|
|||||
| PDB ID: 4IGS Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064 | ||||||
| Method | X-ray diffraction | Resolution | 0.85 Å | Mutation | No | [4] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.331
THR19
3.250
TRP20
2.934
LYS21
2.775
ASP43
2.691
TYR48
3.284
LYS77
3.823
HIS110
3.545
TRP111
3.859
SER159
2.869
ASN160
2.916
GLN183
2.933
TYR209
3.132
SER210
2.864
PRO211
3.348
LEU212
2.817
|
|||||
| PDB ID: 4LAZ Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid | ||||||
| Method | X-ray diffraction | Resolution | 0.85 Å | Mutation | No | [1] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.329
THR19
3.212
TRP20
2.926
LYS21
2.835
ASP43
2.690
TYR48
3.196
LYS77
3.703
HIS110
3.479
TRP111
3.619
SER159
2.845
ASN160
2.909
GLN183
2.908
TYR209
3.173
SER210
2.810
PRO211
3.354
LEU212
2.823
GLY213
3.327
|
|||||
| PDB ID: 4QXI Crystal structure of human AR complexed with NADP+ and AK198 | ||||||
| Method | X-ray diffraction | Resolution | 0.87 Å | Mutation | No | [5] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.310
THR19
3.211
TRP20
2.903
LYS21
2.851
ASP43
2.684
TYR48
3.209
LYS77
3.712
HIS110
3.426
TRP111
3.814
SER159
2.847
ASN160
2.924
GLN183
2.915
TYR209
3.158
SER210
2.801
PRO211
3.353
LEU212
2.823
GLY213
3.331
|
|||||
| PDB ID: 1PWM Crystal structure of human Aldose Reductase complexed with NADP and Fidarestat | ||||||
| Method | X-ray diffraction | Resolution | 0.92 Å | Mutation | No | [6] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.335
THR19
3.241
TRP20
2.906
LYS21
2.880
ASP43
2.689
TYR48
3.338
LYS77
3.815
HIS110
3.427
TRP111
3.899
SER159
2.844
ASN160
2.915
GLN183
2.918
TYR209
3.118
SER210
2.822
PRO211
3.368
LEU212
2.845
GLY213
3.341
|
|||||
| PDB ID: 6F7R AKR1B1 at 0.03 MGy radiation dose. | ||||||
| Method | X-ray diffraction | Resolution | 0.92 Å | Mutation | No | [7] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.283
THR19
3.217
TRP20
2.907
LYS21
2.839
ASP43
2.670
TYR48
3.263
LYS77
3.714
HIS110
3.292
TRP111
3.964
SER159
2.844
ASN160
2.941
GLN183
2.904
TYR209
3.129
SER210
2.804
PRO211
3.354
LEU212
2.835
GLY213
3.348
|
|||||
| PDB ID: 6SYW human Aldose Reductase in complex with SAR25 | ||||||
| Method | X-ray diffraction | Resolution | 0.93 Å | Mutation | No | [8] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
2.750
THR19
2.506
TRP20
2.190
LYS21
2.030
ASP43
2.680
TYR48
3.105
LYS77
2.842
HIS110
3.022
TRP111
3.500
SER159
2.854
ASN160
2.076
GLN183
2.916
TYR209
2.442
SER210
1.999
PRO211
2.848
LEU212
2.085
GLY213
3.131
|
|||||
| PDB ID: 3M4H Human Aldose Reductase mutant T113V complexed with IDD388 | ||||||
| Method | X-ray diffraction | Resolution | 0.94 Å | Mutation | Yes | [9] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPVGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.323
THR19
3.217
TRP20
2.912
LYS21
2.843
ASP43
2.690
TYR48
3.219
LYS77
3.694
HIS110
3.459
TRP111
3.711
SER159
2.852
ASN160
2.901
GLN183
2.922
TYR209
3.176
SER210
2.827
PRO211
3.353
LEU212
2.841
GLY213
3.363
|
|||||
| PDB ID: 5OU0 Crystal structure of human AKR1B1 complexed with NADP+ and compound 37 | ||||||
| Method | X-ray diffraction | Resolution | 0.94 Å | Mutation | No | [10] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.317
THR19
3.167
TRP20
2.867
LYS21
2.817
ASP43
2.663
TYR48
3.181
LYS77
3.774
HIS110
3.532
TRP111
3.489
SER159
2.802
ASN160
2.892
GLN183
2.906
TYR209
3.192
SER210
2.811
PRO211
3.396
LEU212
2.821
|
|||||
| PDB ID: 6Y1P Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) | ||||||
| Method | X-ray diffraction | Resolution | 0.94 Å | Mutation | Yes | [11] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 AASCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:17 or .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:44 or .A:48 or .A:77 or .A:108 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:249 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU17
4.908
GLY18
2.142
THR19
2.128
TRP20
2.085
LYS21
1.983
ASP43
1.700
CYS44
4.537
TYR48
2.642
LYS77
2.207
LEU108
4.677
HIS110
2.927
TRP111
3.248
SER159
1.977
ASN160
2.059
GLN183
1.915
TYR209
2.491
SER210
1.985
PRO211
2.499
LEU212
2.071
|
|||||
| PDB ID: 1Z8A Human Aldose Reductase complexed with novel Sulfonyl-pyridazinone Inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 0.95 Å | Mutation | No | [12] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.258
THR19
3.211
TRP20
2.905
LYS21
2.822
ASP43
2.684
TYR48
3.297
LYS77
3.750
HIS110
3.379
TRP111
3.788
SER159
2.846
ASN160
2.918
GLN183
2.926
TYR209
3.168
SER210
2.807
PRO211
3.365
LEU212
2.840
GLY213
3.344
|
|||||
| PDB ID: 3LZ5 Human aldose reductase mutant T113V complexed with IDD594 | ||||||
| Method | X-ray diffraction | Resolution | 0.95 Å | Mutation | Yes | [9] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPVGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.316
THR19
3.216
TRP20
2.900
LYS21
2.826
ASP43
2.690
TYR48
3.208
LYS77
3.718
HIS110
3.467
TRP111
3.666
SER159
2.854
ASN160
2.890
GLN183
2.913
TYR209
3.162
SER210
2.804
PRO211
3.369
LEU212
2.842
GLY213
3.361
|
|||||
| PDB ID: 6TXP Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) | ||||||
| Method | X-ray diffraction | Resolution | 0.95 Å | Mutation | Yes | [13] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 ALSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:17 or .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:44 or .A:48 or .A:77 or .A:108 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:249 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU17
4.911
GLY18
2.152
THR19
2.512
TRP20
2.212
LYS21
1.969
ASP43
1.846
CYS44
4.361
TYR48
2.541
LYS77
2.219
LEU108
4.695
HIS110
2.902
TRP111
3.285
SER159
1.987
ASN160
2.077
GLN183
1.895
TYR209
2.479
SER210
1.982
PRO211
2.481
LEU212
2.062
|
|||||
| PDB ID: 4PRT Human Aldose Reductase complexed with Schl12221 ({2-[5-(3-NITROPHENYL)FURAN-2-YL]PHENYL}ACETIC ACID) at 0.96 A | ||||||
| Method | X-ray diffraction | Resolution | 0.96 Å | Mutation | No | [14] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.327
THR19
3.217
TRP20
2.931
LYS21
2.819
ASP43
2.668
TYR48
3.182
LYS77
3.746
HIS110
3.526
TRP111
3.635
SER159
2.826
ASN160
2.903
GLN183
2.900
TYR209
3.160
SER210
2.824
PRO211
3.356
LEU212
2.827
|
|||||
| PDB ID: 5OUJ Crystal structure of human AKR1B1 complexed with NADP+ and compound 39 | ||||||
| Method | X-ray diffraction | Resolution | 0.96 Å | Mutation | No | [10] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.327
THR19
3.188
TRP20
2.888
LYS21
2.799
ASP43
2.663
TYR48
3.271
LYS77
3.788
HIS110
3.475
TRP111
3.582
SER159
2.834
ASN160
2.890
GLN183
2.920
TYR209
3.182
SER210
2.815
PRO211
3.399
LEU212
2.813
|
|||||
| PDB ID: 5OUK Crystal structure of human AKR1B1 complexed with NADP+ and compound 41 | ||||||
| Method | X-ray diffraction | Resolution | 0.96 Å | Mutation | No | [10] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.329
THR19
3.187
TRP20
2.885
LYS21
2.805
ASP43
2.635
TYR48
3.249
LYS77
3.778
HIS110
3.506
TRP111
3.507
SER159
2.849
ASN160
2.877
GLN183
2.913
TYR209
3.190
SER210
2.800
PRO211
3.404
LEU212
2.828
|
|||||
| PDB ID: 6F81 AKR1B1 at 0.75 MGy radiation dose. | ||||||
| Method | X-ray diffraction | Resolution | 0.97 Å | Mutation | No | [7] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.311
THR19
3.204
TRP20
2.908
LYS21
2.823
ASP43
2.642
TYR48
3.292
LYS77
3.730
HIS110
3.279
TRP111
4.020
SER159
2.846
ASN160
2.966
GLN183
2.881
TYR209
3.155
SER210
2.826
PRO211
3.382
LEU212
2.846
GLY213
3.348
|
|||||
| PDB ID: 6T3P Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) | ||||||
| Method | X-ray diffraction | Resolution | 0.97 Å | Mutation | Yes | [15] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 ALSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:17 or .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:44 or .A:48 or .A:77 or .A:108 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:249 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU17
4.936
GLY18
2.197
THR19
2.544
TRP20
2.223
LYS21
1.999
ASP43
1.963
CYS44
4.328
TYR48
2.461
LYS77
2.241
LEU108
4.698
HIS110
2.946
TRP111
3.245
SER159
1.976
ASN160
2.074
GLN183
1.904
TYR209
2.506
SER210
1.991
PRO211
2.555
LEU212
2.076
|
|||||
| PDB ID: 6TD8 Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) | ||||||
| Method | X-ray diffraction | Resolution | 0.97 Å | Mutation | Yes | [16] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LASCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:17 or .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:44 or .A:48 or .A:77 or .A:108 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:246 or .A:249 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU17
4.902
GLY18
2.136
THR19
2.528
TRP20
2.197
LYS21
2.028
ASP43
2.224
CYS44
4.349
TYR48
2.288
LYS77
2.223
LEU108
4.677
HIS110
2.969
TRP111
3.232
SER159
1.966
ASN160
2.074
GLN183
1.897
TYR209
2.482
SER210
1.985
PRO211
2.485
LEU212
2.084
GLY213
3.124
|
|||||
| PDB ID: 6XUM Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) | ||||||
| Method | X-ray diffraction | Resolution | 0.97 Å | Mutation | Yes | [17] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 AASCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:17 or .A:18 or .A:19 or .A:20 or .A:21 or .A:22 or .A:43 or .A:44 or .A:48 or .A:77 or .A:108 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:246 or .A:249 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU17
4.917
GLY18
2.157
THR19
2.511
TRP20
2.189
LYS21
2.018
SER22
4.969
ASP43
2.139
CYS44
4.381
TYR48
2.345
LYS77
2.232
LEU108
4.676
HIS110
2.960
TRP111
3.203
SER159
1.959
ASN160
2.056
GLN183
1.898
TYR209
2.474
SER210
1.988
PRO211
2.502
LEU212
1.943
|
|||||
| PDB ID: 4QBX Human Aldose Reductase complexed with a ligand with an IDD structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) at 0.98 A | ||||||
| Method | X-ray diffraction | Resolution | 0.98 Å | Mutation | No | [18] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.340
THR19
3.228
TRP20
2.945
LYS21
2.818
ASP43
2.680
TYR48
3.213
LYS77
3.732
HIS110
3.553
TRP111
3.585
SER159
2.832
ASN160
2.921
GLN183
2.901
TYR209
3.131
SER210
2.804
PRO211
3.353
LEU212
2.822
|
|||||
| PDB ID: 3LEP Human Aldose Reductase mutant T113C in complex with IDD388 | ||||||
| Method | X-ray diffraction | Resolution | 0.99 Å | Mutation | Yes | [9] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPCGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.337
THR19
3.220
TRP20
2.924
LYS21
2.823
ASP43
2.704
TYR48
3.166
LYS77
3.700
HIS110
3.468
TRP111
3.655
SER159
2.842
ASN160
2.920
GLN183
2.911
TYR209
3.137
SER210
2.822
PRO211
3.365
LEU212
2.836
|
|||||
| PDB ID: 2PZN The crystallographic structure of Aldose Reductase IDD393 complex confirms Leu300 as a specificity determinant | ||||||
| Method | X-ray diffraction | Resolution | 1.00 Å | Mutation | No | [19] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.337
THR19
3.238
TRP20
2.902
LYS21
2.843
ASP43
2.652
TYR48
3.177
LYS77
3.690
HIS110
3.490
TRP111
3.515
SER159
2.825
ASN160
2.909
GLN183
2.883
TYR209
3.140
SER210
2.785
PRO211
3.406
LEU212
2.835
GLY213
3.290
|
|||||
| PDB ID: 3U2C Aldose reductase in complex with NSAID-type inhibitor at 1.0 A resolution | ||||||
| Method | X-ray diffraction | Resolution | 1.00 Å | Mutation | No | [20] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.319
THR19
3.229
TRP20
2.926
LYS21
2.843
ASP43
2.680
TYR48
3.332
LYS77
3.694
HIS110
3.453
TRP111
3.847
SER159
2.900
ASN160
2.918
GLN183
2.956
TYR209
3.184
SER210
2.816
PRO211
3.362
LEU212
2.836
|
|||||
| PDB ID: 4XZH Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048 | ||||||
| Method | X-ray diffraction | Resolution | 1.00 Å | Mutation | No | [21] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.321
THR19
3.242
TRP20
2.934
LYS21
2.813
ASP43
2.658
TYR48
3.246
LYS77
3.808
HIS110
3.564
TRP111
3.511
SER159
2.823
ASN160
2.938
GLN183
2.897
TYR209
3.116
SER210
2.800
PRO211
3.409
LEU212
2.866
GLY213
3.297
|
|||||
| PDB ID: 6T7Q Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) | ||||||
| Method | X-ray diffraction | Resolution | 1.01 Å | Mutation | Yes | [22] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LASCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:17 or .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:44 or .A:48 or .A:77 or .A:108 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:249 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU17
4.932
GLY18
2.173
THR19
2.461
TRP20
2.200
LYS21
2.046
ASP43
2.347
CYS44
4.382
TYR48
2.285
LYS77
2.246
LEU108
4.750
HIS110
3.024
TRP111
3.409
SER159
1.995
ASN160
2.088
GLN183
1.903
TYR209
2.496
SER210
1.999
PRO211
2.508
LEU212
1.912
|
|||||
| PDB ID: 4YU1 Human Aldose Reductase complexed with Schl12134 (3-[5-(3-nitrophenyl)-2-thienyl]propanoic acid) at 1.02 A | ||||||
| Method | X-ray diffraction | Resolution | 1.02 Å | Mutation | No | [23] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.279
THR19
3.181
TRP20
2.890
LYS21
2.841
ASP43
2.660
TYR48
3.337
LYS77
3.692
HIS110
3.382
TRP111
3.671
SER159
2.821
ASN160
2.962
GLN183
2.947
TYR209
3.169
SER210
2.866
PRO211
3.322
LEU212
2.807
GLY213
3.375
|
|||||
| PDB ID: 3LZ3 Human aldose reductase mutant T113S complexed with IDD388 | ||||||
| Method | X-ray diffraction | Resolution | 1.03 Å | Mutation | Yes | [9] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPSGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.338
THR19
3.201
TRP20
2.902
LYS21
2.831
ASP43
2.662
TYR48
3.162
LYS77
3.676
HIS110
3.458
TRP111
3.648
SER159
2.829
ASN160
2.919
GLN183
2.900
TYR209
3.155
SER210
2.801
PRO211
3.345
LEU212
2.831
GLY213
3.329
|
|||||
| PDB ID: 6F82 AKR1B1 at 1.65 MGy radiation dose. | ||||||
| Method | X-ray diffraction | Resolution | 1.03 Å | Mutation | No | [7] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.277
THR19
3.208
TRP20
2.898
LYS21
2.838
ASP43
2.669
TYR48
3.292
LYS77
3.746
HIS110
3.323
TRP111
4.010
SER159
2.839
ASN160
2.952
GLN183
2.919
TYR209
3.142
SER210
2.787
PRO211
3.375
LEU212
2.824
GLY213
3.348
|
|||||
| PDB ID: 1T41 Crystal structure of human aldose reductase complexed with NADP and IDD552 | ||||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [24] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.347
THR19
3.224
TRP20
2.912
ASP43
2.684
TYR48
3.266
LYS77
3.776
HIS110
3.456
TRP111
3.760
SER159
2.809
ASN160
2.914
GLN183
2.893
TYR209
3.155
SER210
2.811
PRO211
3.367
LEU212
2.817
GLY213
3.277
|
|||||
| PDB ID: 4QR6 Human Aldose Reductase complexed with a ligand with an IDD structure (2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-5-fluoro-phenoxy]acetic acid) at 1.05 A | ||||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [25] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.328
THR19
3.219
TRP20
2.912
LYS21
2.842
ASP43
2.677
TYR48
3.175
LYS77
3.684
HIS110
3.466
TRP111
3.666
SER159
2.846
ASN160
2.888
GLN183
2.925
TYR209
3.161
SER210
2.812
PRO211
3.357
LEU212
2.812
GLY213
3.343
|
|||||
| PDB ID: 6TUC Human Aldose Reductase in complex with ALR25 | ||||||
| Method | X-ray diffraction | Resolution | 1.06 Å | Mutation | No | [26] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
2.784
THR19
2.503
TRP20
2.178
LYS21
2.031
ASP43
2.677
TYR48
3.209
LYS77
2.794
HIS110
2.814
TRP111
3.660
SER159
2.858
ASN160
2.083
GLN183
2.908
TYR209
2.457
SER210
2.010
PRO211
2.827
LEU212
2.081
GLY213
3.098
|
|||||
| PDB ID: 3M0I Human Aldose Reductase mutant T113V in complex with Zopolrestat | ||||||
| Method | X-ray diffraction | Resolution | 1.07 Å | Mutation | Yes | [27] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPVGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.291
THR19
3.207
TRP20
2.903
LYS21
2.834
ASP43
2.672
TYR48
3.228
LYS77
3.699
HIS110
3.498
TRP111
3.488
SER159
2.833
ASN160
2.879
GLN183
2.881
TYR209
3.220
SER210
2.798
PRO211
3.392
LEU212
2.825
GLY213
3.311
|
|||||
| PDB ID: 4YS1 Human Aldose Reductase complexed with a ligand with an IDD structure (2) at 1.07 A. | ||||||
| Method | X-ray diffraction | Resolution | 1.07 Å | Mutation | No | [28] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.325
THR19
3.230
TRP20
2.911
LYS21
2.835
ASP43
2.680
TYR48
3.306
LYS77
3.718
HIS110
3.448
TRP111
4.065
SER159
2.847
ASN160
2.923
GLN183
2.918
TYR209
3.130
SER210
2.832
PRO211
3.354
LEU212
2.811
GLY213
3.318
|
|||||
| PDB ID: 2FZD Human aldose reductase complexed with tolrestat at 1.08 A resolution. | ||||||
| Method | X-ray diffraction | Resolution | 1.08 Å | Mutation | No | [29] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:267 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.232
THR19
3.172
TRP20
2.873
LYS21
2.846
ASP43
2.661
TYR48
3.348
LYS77
2.691
HIS110
3.540
TRP111
3.389
SER159
2.859
ASN160
2.861
GLN183
2.861
TYR209
3.202
SER210
2.827
PRO211
3.362
LEU212
2.843
GLY213
3.337
|
|||||
| PDB ID: 6F84 AKR1B1 at 2.55 MGy radiation dose. | ||||||
| Method | X-ray diffraction | Resolution | 1.09 Å | Mutation | No | [7] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.252
THR19
3.182
TRP20
2.884
LYS21
2.779
ASP43
2.668
TYR48
3.262
LYS77
3.785
HIS110
3.295
TRP111
4.025
SER159
2.791
ASN160
2.973
GLN183
2.923
TYR209
3.179
SER210
2.788
PRO211
3.407
LEU212
2.844
GLY213
3.337
|
|||||
| PDB ID: 1PWL Crystal structure of human Aldose Reductase complexed with NADP and Minalrestat | ||||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [6] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.340
THR19
3.220
TRP20
2.918
LYS21
2.798
ASP43
2.689
TYR48
3.319
LYS77
3.754
HIS110
3.419
TRP111
3.720
SER159
2.830
ASN160
2.915
GLN183
2.887
TYR209
3.140
SER210
2.830
PRO211
3.370
LEU212
2.813
|
|||||
| PDB ID: 3LBO Human aldose reductase mutant T113C complexed with IDD594 | ||||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | Yes | [9] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPCGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.348
THR19
3.227
TRP20
2.915
LYS21
2.825
ASP43
2.694
TYR48
3.175
LYS77
3.713
HIS110
3.464
TRP111
3.641
SER159
2.852
ASN160
2.904
GLN183
2.905
TYR209
3.212
SER210
2.825
PRO211
3.381
LEU212
2.830
|
|||||
| PDB ID: 6T27 Structure of Human Aldose Reductase Mutant L301A with a Citrate Molecule Bound in the Anion Binding Pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.11 Å | Mutation | Yes | [30] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LASCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:17 or .A:18 or .A:19 or .A:20 or .A:21 or .A:22 or .A:43 or .A:44 or .A:48 or .A:77 or .A:108 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:246 or .A:249 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU17
4.936
GLY18
2.197
THR19
2.507
TRP20
2.170
LYS21
2.008
SER22
4.983
ASP43
2.123
CYS44
4.347
TYR48
2.453
LYS77
2.275
LEU108
4.776
HIS110
2.716
TRP111
3.675
SER159
1.982
ASN160
2.108
GLN183
1.898
TYR209
2.440
SER210
1.997
PRO211
2.483
LEU212
2.051
|
|||||
| PDB ID: 4PUW Human Aldose Reductase complexed with a ligand with an IDD structure (2-[5-fluoro-2-(prop-2-ynylcarbamoyl)phenoxy]acetic acid) at 1.12 A | ||||||
| Method | X-ray diffraction | Resolution | 1.12 Å | Mutation | No | [31] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.324
THR19
3.208
TRP20
2.909
LYS21
2.819
ASP43
2.673
TYR48
3.221
LYS77
3.720
HIS110
3.460
TRP111
3.732
SER159
2.855
ASN160
2.915
GLN183
2.913
TYR209
3.136
SER210
2.849
PRO211
3.346
LEU212
2.801
GLY213
3.320
|
|||||
| PDB ID: 3LQL Human Aldose Reductase mutant T113A complexed with IDD 594 | ||||||
| Method | X-ray diffraction | Resolution | 1.13 Å | Mutation | Yes | [9] |
| PDB Sequence |
MASRILLNNG
10 AKMPILGLGT20 WKSPPGQVTE30 AVKVAIDVGY40 RHIDCAHVYQ50 NENEVGVAIQ 60 EKLREQVVKR70 EELFIVSKLW80 CTYHEKGLVK90 GACQKTLSDL100 KLDYLDLYLI 110 HWPAGFKPGK120 EFFPLDESGN130 VVPSDTNILD140 TWAAMEELVD150 EGLVKAIGIS 160 NFNHLQVEMI170 LNKPGLKYKP180 AVNQIECHPY190 LTQEKLIQYC200 QSKGIVVTAY 210 SPLGSPDRPW220 AKPEDPSLLE230 DPRIKAIAAK240 HNKTTAQVLI250 RFPMQRNLVV 260 IPKSVTPERI270 AENFKVFDFE280 LSSQDMTTLL290 SYNRNWRVCA300 LLSCTSHKDY 310 PFH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:19 or .A:20 or .A:21 or .A:22 or .A:44 or .A:49 or .A:78 or .A:111 or .A:112 or .A:160 or .A:161 or .A:184 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:229 or .A:246 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:266 or .A:269 or .A:272 or .A:273 or .A:299; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY19
3.347
THR20
3.233
TRP21
2.922
LYS22
2.842
ASP44
2.689
TYR49
3.166
LYS78
3.696
HIS111
3.474
TRP112
3.630
SER160
2.846
ASN161
2.895
GLN184
2.914
TYR210
3.185
SER211
2.826
PRO212
3.365
LEU213
2.846
|
|||||
| PDB ID: 3MC5 Human Aldose Reductase mutant T113V in complex with IDD393 crystallized in spacegroup P1 | ||||||
| Method | X-ray diffraction | Resolution | 1.14 Å | Mutation | Yes | [27] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPVGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.302
THR19
3.258
TRP20
2.918
LYS21
2.868
ASP43
2.681
TYR48
3.215
LYS77
3.669
HIS110
3.494
TRP111
3.562
SER159
2.833
ASN160
2.925
GLN183
2.848
TYR209
3.188
SER210
2.814
PRO211
3.409
LEU212
2.840
GLY213
3.289
|
|||||
| PDB ID: 4PUU Human Aldose Reductase complexed with a ligand with an IDD structure (2-(2-carbamoyl-5-fluoro-phenoxy)acetic acid) at 1.14 A | ||||||
| Method | X-ray diffraction | Resolution | 1.14 Å | Mutation | No | [32] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.318
THR19
3.196
TRP20
2.911
LYS21
2.832
ASP43
2.677
TYR48
3.217
LYS77
3.713
HIS110
3.502
TRP111
3.701
SER159
2.842
ASN160
2.897
GLN183
2.954
TYR209
3.152
SER210
2.835
PRO211
3.350
LEU212
2.801
GLY213
3.328
|
|||||
| PDB ID: 6TUF Human Aldose Reductase in complex with ALR43 | ||||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | No | [33] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
2.779
THR19
2.497
TRP20
2.170
LYS21
1.998
ASP43
2.681
TYR48
3.057
LYS77
2.792
HIS110
2.828
TRP111
3.520
SER159
2.855
ASN160
2.079
GLN183
2.893
TYR209
2.460
SER210
2.011
PRO211
2.819
LEU212
2.054
GLY213
3.134
|
|||||
| PDB ID: 6F8O AKR1B1 at 3.45 MGy radiation dose. | ||||||
| Method | X-ray diffraction | Resolution | 1.17 Å | Mutation | No | [7] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVSA299 LLSCTSHKDY 309 PFHE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.270
THR19
3.190
TRP20
2.902
LYS21
2.789
ASP43
2.671
TYR48
3.266
LYS77
3.832
HIS110
3.315
TRP111
4.054
SER159
2.852
ASN160
2.976
GLN183
2.922
TYR209
3.156
SER210
2.824
PRO211
3.374
LEU212
2.822
GLY213
3.369
|
|||||
| PDB ID: 3LEN Human Aldose Reductase mutant T113S complexed with Zopolrestat | ||||||
| Method | X-ray diffraction | Resolution | 1.21 Å | Mutation | Yes | [27] |
| PDB Sequence |
SRILLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PSGFKPGKEF121 FPLDESGNVV131 PSDTNILDTW141 AAMEELVDEG151 LVKAIGISNF 161 NHLQVEMILN171 KPGLKYKPAV181 NQIECHPYLT191 QEKLIQYCQS201 KGIVVTAYSP 211 LGSPDRPWAK221 PEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVCALL301 SCTSHKDYPF 311 HEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.328
THR19
3.222
TRP20
2.875
LYS21
2.809
ASP43
2.679
TYR48
3.183
LYS77
3.748
HIS110
3.502
TRP111
3.580
SER159
2.807
ASN160
2.883
GLN183
2.913
TYR209
3.188
SER210
2.821
PRO211
3.411
LEU212
2.838
GLY213
3.316
|
|||||
| PDB ID: 4QX4 Human Aldose Reductase complexed with a ligand with a new scaffold at 1.26 A | ||||||
| Method | X-ray diffraction | Resolution | 1.26 Å | Mutation | Yes | [34] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.323
THR19
3.256
TRP20
2.924
LYS21
2.846
ASP43
2.664
TYR48
3.251
LYS77
3.741
HIS110
3.537
TRP111
3.689
SER159
2.849
ASN160
2.889
GLN183
2.908
TYR209
3.167
SER210
2.841
PRO211
3.363
LEU212
2.800
|
|||||
| PDB ID: 3LD5 Human aldose reductase mutant T113S complexed with IDD594 | ||||||
| Method | X-ray diffraction | Resolution | 1.27 Å | Mutation | Yes | [9] |
| PDB Sequence |
SRILLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PSGFKPGKEF121 FPLDESGNVV131 PSDTNILDTW141 AAMEELVDEG151 LVKAIGISNF 161 NHLQVEMILN171 KPGLKYKPAV181 NQIECHPYLT191 QEKLIQYCQS201 KGIVVTAYSP 211 LGSPDRPWAK221 PEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVCALL301 SCTSHKDYPF 311 H
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.342
THR19
3.220
TRP20
2.880
LYS21
2.802
ASP43
2.675
TYR48
3.194
LYS77
3.705
HIS110
3.470
TRP111
3.656
SER159
2.834
ASN160
2.870
GLN183
2.888
TYR209
3.233
SER210
2.846
PRO211
3.359
LEU212
2.853
|
|||||
| PDB ID: 6T5G Structure of Human Aldose Reductase Mutant L300A with a Citrate Molecule Bound in the Anion Binding Pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.28 Å | Mutation | Yes | [35] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 ALSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
2.748
THR19
2.470
TRP20
2.110
ASP43
2.645
TYR48
3.030
LYS77
2.884
HIS110
2.916
TRP111
3.727
SER159
2.846
ASN160
2.093
GLN183
2.883
TYR209
2.493
SER210
2.004
PRO211
2.858
LEU212
2.011
GLY213
3.052
|
|||||
| PDB ID: 1X98 Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [36] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.290
THR19
3.226
TRP20
2.937
LYS21
2.867
ASP43
2.661
TYR48
3.256
LYS77
3.717
HIS110
3.308
TRP111
4.097
SER159
2.840
ASN160
2.930
GLN183
2.923
TYR209
3.210
SER210
2.826
PRO211
3.368
LEU212
2.819
GLY213
3.336
|
|||||
| PDB ID: 3M64 Human aldose reductase mutant T113V complexed with IDD393 | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [27] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPVGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.320
THR19
3.224
TRP20
2.876
LYS21
2.825
ASP43
2.658
TYR48
3.221
LYS77
3.663
HIS110
3.466
TRP111
3.487
SER159
2.868
ASN160
2.955
GLN183
2.868
TYR209
3.227
SER210
2.806
PRO211
3.364
LEU212
2.824
|
|||||
| PDB ID: 3LQG Human aldose reductase mutant T113A complexed with IDD388 | ||||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | Yes | [9] |
| PDB Sequence |
SRILLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PAGFKPGKEF121 FPLDESGNVV131 PSDTNILDTW141 AAMEELVDEG151 LVKAIGISNF 161 NHLQVEMILN171 KPGLKYKPAV181 NQIECHPYLT191 QEKLIQYCQS201 KGIVVTAYSP 211 LGSPDRPWAK221 PEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVCALL301 SCTSHKDYPF 311 H
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.297
THR19
3.225
TRP20
2.897
LYS21
2.827
ASP43
2.686
TYR48
3.161
LYS77
3.751
HIS110
3.538
TRP111
3.639
SER159
2.878
ASN160
2.867
GLN183
2.878
TYR209
3.225
SER210
2.828
PRO211
3.353
LEU212
2.827
|
|||||
| PDB ID: 1X96 Crystal structure of Aldose Reductase with citrates bound in the active site | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [36] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.281
THR19
3.229
TRP20
2.893
LYS21
2.818
ASP43
2.664
TYR48
3.333
LYS77
3.718
HIS110
3.290
TRP111
4.017
SER159
2.802
ASN160
2.913
GLN183
2.950
TYR209
3.001
SER210
2.815
PRO211
3.361
LEU212
2.790
GLY213
3.342
|
|||||
| PDB ID: 1X97 Crystal structure of Aldose Reductase complexed with 2R4S (Stereoisomer of Fidarestat, 2S4S) | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [36] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.234
THR19
3.231
TRP20
2.919
LYS21
2.818
ASP43
2.703
TYR48
3.244
LYS77
3.782
HIS110
3.371
TRP111
3.984
SER159
2.807
ASN160
2.914
GLN183
2.916
TYR209
2.975
SER210
2.769
PRO211
3.335
LEU212
2.774
GLY213
3.335
|
|||||
| PDB ID: 2PDG Human aldose reductase with uracil-type inhibitor at 1.42A. | ||||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | No | [37] |
| PDB Sequence |
SRILLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PTGFKPGKEF121 FPLDESGNVV131 PSDTNILDTW141 AAMEELVDEG151 LVKAIGISNF 161 NHLQVEMILN171 KPGLKYKPAV181 NQIECHPYLT191 QEKLIQYCQS201 KGIVVTAYSP 211 LGSPDRPWAK221 PEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVCALL301 SCTSHKDYPF 311 HEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.262
THR19
3.254
TRP20
2.882
LYS21
2.837
ASP43
2.669
TYR48
3.216
LYS77
3.805
HIS110
3.471
TRP111
3.619
SER159
2.771
ASN160
2.896
GLN183
2.880
TYR209
3.248
SER210
2.789
PRO211
3.412
LEU212
2.807
|
|||||
| PDB ID: 1Z89 Human Aldose Reductase complexed with novel Sulfonyl-pyridazinone Inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [12] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.229
THR19
3.238
TRP20
2.891
LYS21
2.827
ASP43
2.712
TYR48
3.316
LYS77
3.812
HIS110
3.473
TRP111
3.704
SER159
2.894
ASN160
2.938
GLN183
2.942
TYR209
3.263
SER210
2.809
PRO211
3.389
LEU212
2.864
|
|||||
| PDB ID: 2IKG Aldose reductase complexed with nitrophenyl-oxadiazol type inhibitor at 1.43 A | ||||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [38] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.209
THR19
3.214
TRP20
2.899
LYS21
2.845
ASP43
2.667
TYR48
3.322
LYS77
3.809
HIS110
3.355
TRP111
3.749
SER159
2.812
ASN160
2.882
GLN183
2.855
TYR209
3.259
SER210
2.871
PRO211
3.327
LEU212
2.810
GLY213
3.366
|
|||||
| PDB ID: 2PDH Human aldose reductase mutant L300P complexed with uracil-type inhibitor at 1.45 A. | ||||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAP300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.304
THR19
3.218
TRP20
2.877
LYS21
2.783
ASP43
2.593
TYR48
3.303
LYS77
3.822
HIS110
3.521
TRP111
3.484
SER159
2.847
ASN160
2.796
GLN183
2.856
TYR209
3.277
SER210
2.837
PRO211
3.422
LEU212
2.844
GLY213
3.308
|
|||||
| PDB ID: 3DN5 Aldose Reductase in complex with novel biarylic inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [39] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.287
THR19
3.176
TRP20
2.848
LYS21
2.820
ASP43
2.640
TYR48
3.203
LYS77
3.690
HIS110
3.489
TRP111
3.603
SER159
2.883
ASN160
2.927
GLN183
2.864
TYR209
3.255
SER210
2.722
PRO211
3.322
LEU212
2.828
GLY213
3.274
|
|||||
| PDB ID: 2IKI Human aldose reductase complexed with halogenated IDD-type inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [38] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 F
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.355
THR19
3.182
TRP20
2.933
LYS21
2.794
ASP43
2.639
TYR48
3.201
LYS77
3.806
HIS110
3.463
TRP111
3.648
SER159
2.835
ASN160
2.912
GLN183
2.957
TYR209
3.246
SER210
2.798
PRO211
3.354
LEU212
2.804
|
|||||
| PDB ID: 2PDL Human aldose reductase mutant L301M complexed with tolrestat. | ||||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 MSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.234
THR19
3.143
TRP20
2.840
LYS21
2.881
ASP43
2.701
TYR48
3.556
LYS77
3.661
HIS110
3.596
TRP111
3.452
SER159
2.927
ASN160
2.792
GLN183
2.933
TYR209
3.276
SER210
2.896
PRO211
3.356
LEU212
2.878
GLY213
3.247
|
|||||
| PDB ID: 2FZ8 Human Aldose reductase complexed with inhibitor zopolrestat at 1.48 A(1 day soaking). | ||||||
| Method | X-ray diffraction | Resolution | 1.48 Å | Mutation | No | [29] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.364
THR19
3.316
TRP20
2.948
LYS21
2.785
ASP43
2.663
TYR48
3.175
LYS77
3.710
HIS110
3.533
TRP111
3.573
SER159
2.859
ASN160
2.919
GLN183
2.876
TYR209
3.265
SER210
2.859
PRO211
3.389
LEU212
2.846
GLY213
3.358
|
|||||
| PDB ID: 2FZB Human Aldose Reductase complexed with four tolrestat molecules at 1.5 A resolution. | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [29] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.236
THR19
3.210
TRP20
2.870
LYS21
2.879
ASP43
2.670
TYR48
3.280
LYS77
3.717
HIS110
3.607
TRP111
3.430
SER159
2.866
ASN160
2.919
GLN183
2.951
TYR209
3.270
SER210
2.824
PRO211
3.389
LEU212
2.827
GLY213
3.321
|
|||||
| PDB ID: 2IKH Human aldose reductase complexed with nitrofuryl-oxadiazol inhibitor at 1.55 A | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [38] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.280
THR19
3.247
TRP20
2.937
LYS21
2.811
ASP43
2.663
TYR48
3.290
LYS77
3.962
HIS110
3.495
TRP111
3.678
SER159
2.806
ASN160
2.908
GLN183
2.919
TYR209
3.254
SER210
2.821
PRO211
3.358
LEU212
2.866
GLY213
3.344
|
|||||
| PDB ID: 2IKJ Human aldose reductase complexed with nitro-substituted IDD-type inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [38] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.245
THR19
3.234
TRP20
2.919
LYS21
2.810
ASP43
2.665
TYR48
3.213
LYS77
3.785
HIS110
3.529
TRP111
3.586
SER159
2.876
ASN160
2.927
GLN183
2.918
TYR209
3.265
SER210
2.771
PRO211
3.317
LEU212
2.818
|
|||||
| PDB ID: 2NVD Human Aldose Reductase complexed with novel naphtho[1,2-d]isothiazole acetic acid derivative (2) | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [40] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.245
THR19
3.178
TRP20
2.850
ASP43
2.689
TYR48
3.371
LYS77
3.793
HIS110
3.429
TRP111
3.864
SER159
2.733
ASN160
2.917
GLN183
2.846
TYR209
3.174
SER210
2.662
PRO211
3.349
LEU212
2.883
GLY213
3.352
|
|||||
| PDB ID: 2PD9 Human aldose reductase mutant V47I complexed with fidarestat. | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHIYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.314
THR19
3.269
TRP20
2.885
LYS21
2.836
ASP43
2.713
TYR48
3.266
LYS77
3.837
HIS110
3.499
TRP111
3.964
SER159
2.904
ASN160
2.894
GLN183
2.914
TYR209
3.231
SER210
2.799
PRO211
3.354
LEU212
2.869
GLY213
3.364
|
|||||
| PDB ID: 2PDI Human aldose reductase mutant L300A complexed with zopolrestat at 1.55 A. | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAA300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.303
THR19
3.269
TRP20
2.866
LYS21
2.767
ASP43
2.697
TYR48
3.218
LYS77
3.753
HIS110
3.464
TRP111
3.566
SER159
2.837
ASN160
2.917
GLN183
2.843
TYR209
3.258
SER210
2.852
PRO211
3.381
LEU212
2.818
GLY213
3.357
|
|||||
| PDB ID: 2PDK Human aldose reductase mutant L301M complexed with sorbinil. | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 MSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.286
THR19
3.247
TRP20
2.825
LYS21
2.805
ASP43
2.704
TYR48
3.353
LYS77
3.832
HIS110
3.413
TRP111
3.934
SER159
2.832
ASN160
2.936
GLN183
2.876
TYR209
3.245
SER210
2.746
PRO211
3.348
LEU212
2.845
|
|||||
| PDB ID: 2PDU Human aldose reductase mutant C303D complexed with IDD393. | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSDTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.398
THR19
3.226
TRP20
2.886
LYS21
2.962
ASP43
2.618
TYR48
3.164
LYS77
3.701
HIS110
3.529
TRP111
3.453
SER159
2.818
ASN160
2.905
GLN183
2.862
TYR209
3.254
SER210
2.765
PRO211
3.400
LEU212
2.842
GLY213
3.210
|
|||||
| PDB ID: 2PDW Human aldose reductase mutant C303D complexed with fidarestat. | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSDTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.329
THR19
3.298
TRP20
2.939
LYS21
2.844
ASP43
2.675
TYR48
3.363
LYS77
3.751
HIS110
3.572
TRP111
3.975
SER159
2.927
ASN160
2.855
GLN183
2.902
TYR209
3.236
SER210
2.820
PRO211
3.339
LEU212
2.852
GLY213
3.378
|
|||||
| PDB ID: 3Q67 Human Aldose Reductase C298S mutant in Complex with NADP+ in Space Group P212121 | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [41] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVSA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.304
THR19
3.233
TRP20
2.901
LYS21
2.838
ASP43
2.667
TYR48
3.331
LYS77
3.803
HIS110
3.416
TRP111
3.956
SER159
2.802
ASN160
2.937
GLN183
2.928
TYR209
3.100
SER210
2.838
PRO211
3.438
LEU212
2.860
|
|||||
| PDB ID: 2PDF Human aldose reductase mutant L300P complexed with zopolrestat. | ||||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | Yes | [37] |
| PDB Sequence |
SRILLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PTGFKPGKEF121 FPLDESGNVV131 PSDTNILDTW141 AAMEELVDEG151 LVKAIGISNF 161 NHLQVEMILN171 KPGLKYKPAV181 NQIECHPYLT191 QEKLIQYCQS201 KGIVVTAYSP 211 LGSPDRPWAK221 PEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVCAPL301 SCTSHKDYPF 311 HEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.266
THR19
3.190
TRP20
2.895
LYS21
2.808
ASP43
2.669
TYR48
3.245
LYS77
3.783
HIS110
3.553
TRP111
3.356
SER159
2.826
ASN160
2.884
GLN183
2.958
TYR209
3.257
SER210
2.788
PRO211
3.384
LEU212
2.821
GLY213
3.265
|
|||||
| PDB ID: 2PDJ Human aldose reductase mutant L300A complexed with IDD393. | ||||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAA300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:17 or .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU17
4.985
GLY18
3.242
THR19
3.216
TRP20
2.931
LYS21
2.912
ASP43
2.558
TYR48
3.285
LYS77
3.699
HIS110
3.518
TRP111
3.430
SER159
2.788
ASN160
2.904
GLN183
2.818
TYR209
3.271
SER210
2.888
PRO211
3.372
LEU212
2.775
GLY213
3.293
|
|||||
| PDB ID: 2HVN Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation after one day (1day_cocryst) | ||||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [29] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.323
THR19
3.191
TRP20
2.902
LYS21
2.876
ASP43
2.585
TYR48
3.173
LYS77
3.674
HIS110
3.495
TRP111
3.597
SER159
2.815
ASN160
2.944
GLN183
2.919
TYR209
3.266
SER210
2.876
PRO211
3.404
LEU212
2.841
GLY213
3.395
|
|||||
| PDB ID: 2HV5 Human Aldose Reductase complexed with inhibitor zopolrestat after three days soaking (3days_soaked_3) | ||||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [29] |
| PDB Sequence |
SRILLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PTGFKPGKEF121 FPLDESGNVV131 PSDTNILDTW141 AAMEELVDEG151 LVKAIGISNF 161 NHLQVEMILN171 KPGLKYKPAV181 NQIECHPYLT191 QEKLIQYCQS201 KGIVVTAYSP 211 LGSPDRPWAK221 PEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVCALL301 SCTSHKDYPF 311 HEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.292
THR19
3.266
TRP20
2.912
LYS21
2.740
ASP43
2.624
TYR48
3.208
LYS77
3.685
HIS110
3.422
TRP111
3.626
SER159
2.981
ASN160
3.011
GLN183
2.924
TYR209
3.279
SER210
2.801
PRO211
3.300
LEU212
2.845
|
|||||
| PDB ID: 2DUX Crystal structure of human Aldose Reductase complexed with zopolrestat after 3 days soaking (3days_soaked_1) | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [29] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.250
THR19
3.234
TRP20
2.830
LYS21
2.858
ASP43
2.693
TYR48
3.163
LYS77
3.848
HIS110
3.458
TRP111
3.524
SER159
2.809
ASN160
2.890
GLN183
2.927
TYR209
3.275
SER210
2.817
PRO211
3.336
LEU212
2.842
GLY213
3.419
|
|||||
| PDB ID: 2DUZ Human Aldose Reductase complexed with inhibitor zopolrestat after 3 days soaking (3days_soaked_2) | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [29] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.307
THR19
3.255
TRP20
2.990
LYS21
2.796
ASP43
2.611
TYR48
3.200
LYS77
3.793
HIS110
3.496
TRP111
3.515
SER159
2.827
ASN160
2.942
GLN183
2.933
TYR209
3.268
SER210
2.911
PRO211
3.353
LEU212
2.820
|
|||||
| PDB ID: 2FZ9 Human Aldose Reductase complexed with inhibitor zopolrestat after six days soaking. | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [29] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.340
THR19
3.258
TRP20
2.815
LYS21
2.736
ASP43
2.677
TYR48
3.214
LYS77
3.772
HIS110
3.528
TRP111
3.590
SER159
2.884
ASN160
2.914
GLN183
2.997
TYR209
3.261
SER210
2.829
PRO211
3.344
LEU212
2.902
|
|||||
| PDB ID: 2PD5 Human aldose reductase mutant V47I complexed with zopolrestat | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHIYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.336
THR19
3.226
TRP20
2.944
LYS21
2.854
ASP43
2.688
TYR48
3.256
LYS77
3.879
HIS110
3.499
TRP111
3.623
SER159
2.852
ASN160
2.978
GLN183
2.800
TYR209
3.269
SER210
2.773
PRO211
3.394
LEU212
2.798
GLY213
3.316
|
|||||
| PDB ID: 2PDB Human aldose reductase mutant F121P complexed with zopolrestat. | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 PFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.346
THR19
3.216
TRP20
2.870
LYS21
2.811
ASP43
2.646
TYR48
3.224
LYS77
3.714
HIS110
3.507
TRP111
3.473
SER159
2.905
ASN160
2.915
GLN183
2.842
TYR209
3.265
SER210
2.775
PRO211
3.392
LEU212
2.807
GLY213
3.332
|
|||||
| PDB ID: 2DV0 Human Aldose Reductase complexed with zopolrestat after 6 days soaking(6days_soaked_2) | ||||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [29] |
| PDB Sequence |
SRILLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PTGFKPGKEF121 FPLDESGNVV131 PSDTNILDTW141 AAMEELVDEG151 LVKAIGISNF 161 NHLQVEMILN171 KPGLKYKPAV181 NQIECHPYLT191 QEKLIQYCQS201 KGIVVTAYSP 211 LGSPDRPWAK221 PEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVCALL301 SCTSHKDYPF 311 HEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.353
THR19
3.248
TRP20
2.908
LYS21
2.671
ASP43
2.664
TYR48
3.205
LYS77
3.626
HIS110
3.380
TRP111
3.575
SER159
2.860
ASN160
2.848
GLN183
2.966
TYR209
3.282
SER210
2.733
PRO211
3.299
LEU212
2.782
|
|||||
| PDB ID: 2HVO Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation (10days_cocryst) | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [29] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.309
THR19
3.248
TRP20
2.873
LYS21
2.830
ASP43
2.663
TYR48
3.171
LYS77
3.807
HIS110
3.381
TRP111
3.605
SER159
2.724
ASN160
2.976
GLN183
2.868
TYR209
3.279
SER210
2.941
PRO211
3.343
LEU212
2.854
GLY213
3.292
|
|||||
| PDB ID: 2NVC Human Aldose Reductase complexed with novel naphtho[1,2-d]isothiazole acetic acid derivative (3) | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [40] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.208
THR19
3.161
TRP20
2.806
LYS21
2.767
ASP43
2.613
TYR48
3.303
LYS77
3.906
HIS110
3.473
TRP111
3.626
SER159
2.747
ASN160
2.851
GLN183
2.900
TYR209
3.270
SER210
2.793
PRO211
3.412
LEU212
2.836
|
|||||
| PDB ID: 2PDC Human aldose reductase mutant F121P complexed with IDD393. | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 PFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.238
THR19
3.252
TRP20
2.901
LYS21
2.789
ASP43
2.656
TYR48
3.215
LYS77
3.730
HIS110
3.495
TRP111
3.530
SER159
2.717
ASN160
2.980
GLN183
2.867
TYR209
3.264
SER210
2.887
PRO211
3.373
LEU212
2.815
GLY213
3.357
|
|||||
| PDB ID: 2PDP Human aldose reductase mutant S302R complexed with IDD 393. | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LRCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.413
THR19
3.205
TRP20
2.883
LYS21
2.853
ASP43
2.575
TYR48
3.226
LYS77
3.875
HIS110
3.557
TRP111
3.554
SER159
2.789
ASN160
2.942
GLN183
2.866
TYR209
3.269
SER210
2.776
PRO211
3.454
LEU212
2.859
|
|||||
| PDB ID: 2PDX Human aldose reductase double mutant S302R-C303D complexed with zopolrestat. | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LRDTSHKDYP 310 FH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.262
THR19
3.278
TRP20
2.814
LYS21
2.812
ASP43
2.679
TYR48
3.202
LYS77
3.873
HIS110
3.319
TRP111
3.628
SER159
2.809
ASN160
2.983
GLN183
2.847
TYR209
3.272
SER210
2.949
PRO211
3.286
LEU212
2.751
|
|||||
| PDB ID: 2PDY Human aldose reductase double mutant S302R-C303D complexed with fidarestat. | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LRDTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:17 or .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU17
4.978
GLY18
3.177
THR19
3.215
TRP20
2.915
LYS21
2.889
ASP43
2.579
TYR48
3.254
LYS77
3.749
HIS110
3.477
TRP111
4.027
SER159
2.903
ASN160
2.937
GLN183
2.915
TYR209
3.257
SER210
2.822
PRO211
3.298
LEU212
2.796
|
|||||
| PDB ID: 3MB9 Human Aldose Reductase mutant T113A complexed with Zopolrestat | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [27] |
| PDB Sequence |
SRILLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PAGFKPGKEF121 FPLDESGNVV131 PSDTNILDTW141 AAMEELVDEG151 LVKAIGISNF 161 NHLQVEMILN171 KPGLKYKPAV181 NQIECHPYLT191 QEKLIQYCQS201 KGIVVTAYSP 211 LGSPDRPWAK221 PEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVCALL301 SCTSHKDYPF 311 HEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.327
THR19
3.252
TRP20
2.931
LYS21
2.795
ASP43
2.684
TYR48
3.301
LYS77
3.696
HIS110
3.485
TRP111
3.593
SER159
2.876
ASN160
2.862
GLN183
2.927
TYR209
3.270
SER210
2.801
PRO211
3.437
LEU212
2.887
GLY213
3.302
|
|||||
| PDB ID: 5HA7 Human Aldose Reductase in Complex with NADP+ and WY14643 in Space Group P212121 | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [42] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.352
THR19
3.199
TRP20
2.926
LYS21
2.836
ASP43
2.646
TYR48
3.234
LYS77
3.819
HIS110
3.405
TRP111
3.778
SER159
2.737
ASN160
2.914
GLN183
2.979
TYR209
3.189
SER210
2.868
PRO211
3.365
LEU212
2.809
GLY213
3.321
|
|||||
| PDB ID: 3P2V Novel Benzothiazepine Inhibitor in Complex with human Aldose Reductase | ||||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [27] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.304
THR19
3.195
TRP20
2.793
LYS21
2.810
ASP43
2.646
TYR48
3.387
LYS77
3.698
HIS110
3.371
TRP111
3.565
SER159
2.840
ASN160
2.905
GLN183
2.968
TYR209
3.277
SER210
2.763
PRO211
3.363
LEU212
2.820
GLY213
3.339
|
|||||
| PDB ID: 6Y03 Structure of Human Aldose Reductase Mutant L300/301A with a Citrate Molecule Bound in the Anion Binding Pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | Yes | [43] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVCAAA301 SCTSHKDYPF 311 HEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
2.778
THR19
2.526
TRP20
2.093
LYS21
2.039
ASP43
2.560
TYR48
3.023
LYS77
2.725
HIS110
2.677
TRP111
3.706
SER159
2.801
ASN160
2.120
GLN183
2.900
TYR209
2.409
SER210
1.957
PRO211
2.934
LEU212
2.012
GLY213
3.127
|
|||||
| PDB ID: 1EL3 HUMAN ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [44] |
| PDB Sequence |
MASRLLLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.321
THR19
3.206
TRP20
2.937
LYS21
2.837
ASP43
2.567
TYR48
3.560
LYS77
3.729
HIS110
3.421
TRP111
3.902
SER159
2.767
ASN160
2.887
GLN183
2.963
TYR209
3.383
SER210
2.840
PRO211
3.426
LEU212
2.883
|
|||||
| PDB ID: 2PDN Human aldose reductase mutant S302R complexed with uracil-type inhibitor. | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LRCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:17 or .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU17
4.989
GLY18
3.364
THR19
3.201
TRP20
2.811
LYS21
2.870
ASP43
2.547
TYR48
3.248
LYS77
3.888
HIS110
3.374
TRP111
3.528
SER159
2.791
ASN160
2.899
GLN183
2.915
TYR209
3.283
SER210
2.856
PRO211
3.416
LEU212
2.868
|
|||||
| PDB ID: 2PDQ Human aldose reductase mutant C303D complexed with uracil-type inhibitor. | ||||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSDTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.345
THR19
3.067
TRP20
2.856
LYS21
2.892
ASP43
2.560
TYR48
3.402
LYS77
3.766
HIS110
3.417
TRP111
3.513
SER159
2.812
ASN160
2.895
GLN183
2.764
TYR209
3.290
SER210
2.818
PRO211
3.427
LEU212
2.948
|
|||||
| PDB ID: 2PDM Human aldose reductase mutant S302R complexed with zopolrestat. | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [37] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LRCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.279
THR19
3.320
TRP20
2.924
LYS21
2.780
ASP43
2.717
TYR48
3.172
LYS77
3.813
HIS110
3.441
TRP111
3.519
SER159
2.839
ASN160
2.931
GLN183
2.846
TYR209
3.284
SER210
2.838
PRO211
3.328
LEU212
2.868
GLY213
3.382
|
|||||
| PDB ID: 2R24 Human Aldose Reductase structure | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [45] |
| PDB Sequence |
MASRLLLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:108 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:249 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
2.817
THR19
2.652
TRP20
2.228
LYS21
2.064
ASP43
2.574
TYR48
2.746
LYS77
2.337
LEU108
4.756
HIS110
2.873
TRP111
3.370
SER159
2.380
ASN160
1.987
GLN183
1.940
TYR209
2.431
SER210
2.058
PRO211
2.864
LEU212
2.142
GLY213
3.128
|
|||||
| PDB ID: 1T40 Crystal structure of human aldose reductase complexed with NADP and IDD552 at ph 5 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [24] |
| PDB Sequence |
MASRLLLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.346
THR19
3.197
TRP20
2.872
LYS21
2.862
ASP43
2.587
TYR48
3.271
LYS77
3.728
HIS110
3.537
TRP111
3.544
SER159
2.776
ASN160
2.784
GLN183
2.960
TYR209
3.324
SER210
2.818
PRO211
3.455
LEU212
2.863
|
|||||
| PDB ID: 4JIR Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [46] |
| PDB Sequence |
MASRLLLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.273
THR19
3.033
TRP20
2.882
LYS21
2.785
ASP43
2.678
TYR48
3.168
LYS77
3.833
HIS110
3.468
TRP111
3.819
SER159
2.820
ASN160
2.949
GLN183
3.042
TYR209
3.158
SER210
2.795
PRO211
3.289
LEU212
2.756
|
|||||
| PDB ID: 3Q65 Human Aldose Reductase in Complex with NADP+ in Space Group P212121 | ||||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [41] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.295
THR19
3.274
TRP20
2.937
LYS21
2.966
ASP43
2.564
TYR48
3.338
LYS77
4.024
HIS110
3.195
TRP111
3.624
SER159
2.779
ASN160
3.040
GLN183
2.991
TYR209
3.103
SER210
2.800
PRO211
3.408
LEU212
2.771
|
|||||
| PDB ID: 4XZI Crystal structure of human Aldose Reductase complexed with NADP+ and JF0049 | ||||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [21] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.443
THR19
3.400
TRP20
2.787
LYS21
2.888
ASP43
2.469
TYR48
3.478
LYS77
3.807
HIS110
3.624
TRP111
3.579
SER159
2.818
ASN160
3.242
GLN183
3.054
TYR209
3.174
SER210
2.739
PRO211
3.497
LEU212
2.824
|
|||||
| PDB ID: 1IEI CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH THE INHIBITOR ZENARESTAT. | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [47] |
| PDB Sequence |
ASRLLLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.454
THR19
3.058
TRP20
2.746
LYS21
3.201
ASP43
3.113
TYR48
3.038
LYS77
3.328
HIS110
3.295
TRP111
3.498
SER159
2.981
ASN160
3.587
GLN183
3.004
TYR209
2.972
SER210
2.730
PRO211
3.390
LEU212
2.931
GLY213
3.941
|
|||||
| PDB ID: 4GCA Complex of Aldose Reductase with inhibitor IDD 1219 | ||||||
| Method | X-ray diffraction | Resolution | 0.90 Å | Mutation | No | [48] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.278
THR19
3.183
TRP20
2.886
LYS21
2.799
ASP43
2.681
TYR48
3.235
LYS77
3.751
HIS110
3.540
TRP111
3.541
SER159
2.838
ASN160
2.870
GLN183
2.921
TYR209
3.197
SER210
2.787
PRO211
3.372
LEU212
2.804
|
|||||
| PDB ID: 4PRR Human Aldose Reductase complexed with Schl7815 ((3-[3-(5-NITROFURAN-2-YL)PHENYL]PROPANOIC ACID)at 1.01 A | ||||||
| Method | X-ray diffraction | Resolution | 1.01 Å | Mutation | No | [49] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.302
THR19
3.218
TRP20
2.926
LYS21
2.819
ASP43
2.658
TYR48
3.251
LYS77
3.767
HIS110
3.525
TRP111
3.596
SER159
2.824
ASN160
2.882
GLN183
2.913
TYR209
3.145
SER210
2.818
PRO211
3.344
LEU212
2.810
|
|||||
| PDB ID: 3ONC Bond breakage and relocation of a covalently bound bromine of IDD594 in a complex with hAR T113A mutant after moderate radiation dose | ||||||
| Method | X-ray diffraction | Resolution | 1.06 Å | Mutation | Yes | [50] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPAGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.337
THR19
3.236
TRP20
2.916
LYS21
2.823
ASP43
2.699
TYR48
3.158
LYS77
3.707
HIS110
3.477
TRP111
3.637
SER159
2.839
ASN160
2.908
GLN183
2.912
TYR209
3.169
SER210
2.818
PRO211
3.354
LEU212
2.834
|
|||||
| PDB ID: 4PR4 Human Aldose Reductase complexed with Schl7802 at 1.06 A | ||||||
| Method | X-ray diffraction | Resolution | 1.06 Å | Mutation | No | [51] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.265
THR19
3.196
TRP20
2.897
LYS21
2.823
ASP43
2.665
TYR48
3.253
LYS77
3.755
HIS110
3.475
TRP111
3.628
SER159
2.835
ASN160
2.918
GLN183
2.929
TYR209
3.132
SER210
2.827
PRO211
3.352
LEU212
2.819
GLY213
3.355
|
|||||
| PDB ID: 4NKC Human Aldose Reductase complexed with Schl7764 at 1.12 A | ||||||
| Method | X-ray diffraction | Resolution | 1.12 Å | Mutation | No | [52] |
| PDB Sequence |
SRILLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PTGFKPGKEF121 FPLDESGNVV131 PSDTNILDTW141 AAMEELVDEG151 LVKAIGISNF 161 NHLQVEMILN171 KPGLKYKPAV181 NQIECHPYLT191 QEKLIQYCQS201 KGIVVTAYSP 211 LGSPDRPWAK221 PEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVCALL301 SCTSHKDYPF 311 HEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
2.739
THR19
2.465
TRP20
2.159
LYS21
2.046
ASP43
2.684
TYR48
3.109
LYS77
2.907
HIS110
3.163
TRP111
3.164
SER159
2.853
ASN160
2.078
GLN183
2.919
TYR209
2.430
SER210
2.002
PRO211
2.827
LEU212
2.072
GLY213
3.123
|
|||||
| PDB ID: 4Q7B Human Aldose Reductase complexed with a ligand with an IDD structure ([2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid) at 1.19 A | ||||||
| Method | X-ray diffraction | Resolution | 1.19 Å | Mutation | No | [53] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.290
THR19
3.240
TRP20
2.929
LYS21
2.816
ASP43
2.676
TYR48
3.248
LYS77
3.688
HIS110
3.482
TRP111
3.780
SER159
2.845
ASN160
2.896
GLN183
2.933
TYR209
3.151
SER210
2.819
PRO211
3.344
LEU212
2.791
|
|||||
| PDB ID: 4RPQ Human Aldose Reductase complexed with a ligand with an IDD structure at 1.20 A (1) | ||||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [54] |
| PDB Sequence |
SRILLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PTGFKPGKEF121 FPLDESGNVV131 PSDTNILDTW141 AAMEELVDEG151 LVKAIGISNF 161 NHLQVEMILN171 KPGLKYKPAV181 NQIECHPYLT191 QEKLIQYCQS201 KGIVVTAYSP 211 LGSPDRPWAK221 PEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVCALL301 SCTSHKDYPF 311 HEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.323
THR19
3.254
TRP20
2.922
LYS21
2.792
ASP43
2.678
TYR48
3.221
LYS77
3.682
HIS110
3.576
TRP111
3.623
SER159
2.807
ASN160
2.859
GLN183
2.944
TYR209
3.174
SER210
2.810
PRO211
3.344
LEU212
2.798
|
|||||
| PDB ID: 3ONB Bond breakage and relocation of a covalently bound bromine of IDD594 in a complex with hAR T113A mutant after extensive radiation dose | ||||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | Yes | [50] |
| PDB Sequence |
ASRILLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPAGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.316
THR19
3.240
TRP20
2.937
LYS21
2.823
ASP43
2.709
TYR48
3.209
LYS77
3.626
HIS110
3.437
TRP111
3.666
SER159
2.848
ASN160
2.911
GLN183
2.876
TYR209
3.239
SER210
2.852
PRO211
3.360
LEU212
2.886
GLY213
3.327
|
|||||
| PDB ID: 1ADS AN UNLIKELY SUGAR SUBSTRATE SITE IN THE 1.65 ANGSTROMS STRUCTURE OF THE HUMAN ALDOSE REDUCTASE HOLOENZYME IMPLICATED IN DIABETIC COMPLICATIONS | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [55] |
| PDB Sequence |
ASRLLLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.277
THR19
3.221
TRP20
2.898
LYS21
2.810
ASP43
2.686
TYR48
3.431
LYS77
3.703
HIS110
3.573
TRP111
4.094
SER159
2.835
ASN160
2.929
GLN183
2.958
TYR209
3.291
SER210
2.842
PRO211
3.484
LEU212
2.956
|
|||||
| PDB ID: 2IS7 Crystal Structure of Aldose Reductase complexed with Dichlorophenylacetic acid | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [56] |
| PDB Sequence |
ASRLLLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESNGV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 DKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.312
THR19
3.223
TRP20
2.963
LYS21
2.849
ASP43
2.678
TYR48
3.355
LYS77
3.732
HIS110
3.410
TRP111
3.618
SER159
2.765
ASN160
2.979
GLN183
2.908
TYR209
3.191
SER210
2.768
PRO211
3.384
LEU212
2.857
|
|||||
| PDB ID: 2ACQ AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE | ||||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | No | [57] |
| PDB Sequence |
ASRLLLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.272
THR19
3.191
TRP20
2.963
LYS21
2.767
ASP43
2.747
TYR48
3.485
LYS77
3.879
HIS110
3.383
TRP111
3.830
SER159
2.777
ASN160
2.948
GLN183
2.893
TYR209
3.270
SER210
2.741
PRO211
3.428
LEU212
3.028
|
|||||
| PDB ID: 2ACR AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE | ||||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | No | [57] |
| PDB Sequence |
ASRLLLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.240
THR19
3.196
TRP20
2.942
LYS21
2.866
ASP43
2.722
TYR48
3.438
LYS77
3.852
HIS110
3.481
TRP111
4.007
SER159
2.964
ASN160
3.055
GLN183
2.964
TYR209
3.327
SER210
2.775
PRO211
3.428
LEU212
2.993
|
|||||
| PDB ID: 2ACS AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6-PHOSPHATE | ||||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | No | [57] |
| PDB Sequence |
SRLLLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PTGFKPGKEF121 FPLDESGNVV131 PSDTNILDTW141 AAMEELVDEG151 LVKAIGISNF 161 NHLQVEMILN171 KPGLKYKPAV181 NQIECHPYLT191 QEKLIQYCQS201 KGIVVTAYSP 211 LGSPDRPWAK221 PEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVCALL301 SCTSHKDYPF 311 HEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.307
THR19
3.174
TRP20
2.942
LYS21
2.839
ASP43
2.736
TYR48
3.391
LYS77
3.658
HIS110
3.462
TRP111
4.093
SER159
2.893
ASN160
3.081
GLN183
2.942
TYR209
3.273
SER210
2.703
PRO211
3.526
LEU212
3.108
|
|||||
| PDB ID: 2ACU TYROSINE-48 IS THE PROTON DONOR AND HISTIDINE-110 DIRECTS SUBSTRATE STEREOCHEMICAL SELECTIVITY IN THE REDUCTION REACTION OF HUMAN ALDOSE REDUCTASE: ENZYME KINETICS AND THE CRYSTAL STRUCTURE OF THE Y48H MUTANT ENZYME | ||||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | No | [58] |
| PDB Sequence |
ASRLLLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVHQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.243
THR19
3.191
TRP20
2.892
LYS21
2.815
ASP43
2.728
HIS48
3.957
LYS77
3.733
HIS110
3.384
TRP111
4.062
SER159
2.905
ASN160
2.938
GLN183
2.847
TYR209
3.283
SER210
2.774
PRO211
3.543
LEU212
2.929
|
|||||
| PDB ID: 1AZ1 ALRESTATIN BOUND TO C298A/W219Y MUTANT HUMAN ALDOSE REDUCTASE | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [59] |
| PDB Sequence |
SRLLLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PTGFKPGKEF121 FPLDESGNVV131 PSDTNILDTW141 AAMEELVDEG151 LVKAIGISNF 161 NHLQVEMILN171 KPGLKYKPAV181 NQIECHPYLT191 QEKLIQYCQS201 KGIVVTAYSP 211 LGSPDRPYAK221 PEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVAALL301 SCTSHKDYPF 311 HEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.227
THR19
3.273
TRP20
2.965
LYS21
2.777
ASP43
2.734
TYR48
3.370
LYS77
3.824
HIS110
3.699
TRP111
3.570
SER159
2.917
ASN160
3.024
GLN183
2.918
TYR209
3.223
SER210
2.831
PRO211
3.395
LEU212
2.996
|
|||||
| PDB ID: 1MAR REFINED 1.8 ANGSTROMS STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH THE POTENT INHIBITOR ZOPOLRESTAT | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [60] |
| PDB Sequence |
ASRLLLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:43 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:216 or .A:245 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2INE Crystal Structure of Aldose Reductase complexed with Phenylacetic Acid | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [56] |
| PDB Sequence |
SRLLLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PTGFKPGKEF121 FPLDESGNVV131 PSDTNILDTW141 AAMEELVDEG151 LVKAIGISNF 161 NHLQVEMILN171 KPGLKYKPAV181 NQIECHPYLT191 QEKLIQYCQS201 KGIVVTAYSP 211 LGSPDRPWAK221 PEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVCALL301 SCTSHKDYPF 311 HEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.253
THR19
3.218
TRP20
2.953
LYS21
2.938
ASP43
2.751
TYR48
3.349
LYS77
3.659
HIS110
3.518
TRP111
3.767
SER159
2.860
ASN160
2.937
GLN183
2.944
TYR209
3.289
SER210
2.806
PRO211
3.379
LEU212
3.012
|
|||||
| PDB ID: 2INZ Crystal Structure of Aldose Reductase complexed with 2-Hydroxyphenylacetic Acid | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [56] |
| PDB Sequence |
ASRLLLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.288
THR19
3.152
TRP20
2.883
LYS21
2.968
ASP43
2.676
TYR48
3.282
LYS77
3.843
HIS110
3.436
TRP111
3.792
SER159
2.756
ASN160
2.859
GLN183
2.990
TYR209
3.320
SER210
2.745
PRO211
3.438
LEU212
3.047
|
|||||
| PDB ID: 2IQ0 Crystal Structure of Aldose Reductase complexed with Hexanoic Acid | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [56] |
| PDB Sequence |
SRLLLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PTGFKPGKEF121 FPLDESGNVV131 PSDTNILDTW141 AAMEELVDEG151 LVKAIGISNF 161 NHLQVEMILN171 KPGLKYKPAV181 NQIECHPYLT191 QEKLIQYCQS201 KGIVVTAYSP 211 LGSPDRPWAK221 PEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVCALL301 SCTSHKDYPF 311 HEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.393
THR19
3.193
TRP20
2.933
LYS21
2.862
ASP43
2.622
TYR48
3.460
LYS77
3.680
HIS110
3.629
TRP111
3.884
SER159
2.900
ASN160
2.893
GLN183
2.901
TYR209
3.325
SER210
2.850
PRO211
3.491
LEU212
3.014
|
|||||
| PDB ID: 2IPW Crystal Structure of C298A W219Y Aldose Reductase complexed with Dichlorophenylacetic acid | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [56] |
| PDB Sequence |
SRLLLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PTGFKPGKEF121 FPLDNVVPSD134 TNILDTWAAM144 EELVDEGLVK154 AIGISNFNHL 164 QVEMILNKPG174 LKYKPAVNQI184 ECHPYLTQEK194 LIQYCQSKGI204 VVTAYSPLGS 214 PDRPYAEDPS226 LLEDPRIKAI236 AAKHNKTTAQ246 VLIRFPMQRN256 LVVIPKSVTP 266 ERIAENFKVF276 DFELSSQDMT286 TLLSYNRNWR296 VAALLSCTSH306 KDYPFHEEF |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.168
THR19
3.208
TRP20
2.902
LYS21
2.709
ASP43
2.639
TYR48
3.176
LYS77
3.431
HIS110
3.445
TRP111
3.795
SER159
2.928
ASN160
2.941
GLN183
2.816
TYR209
3.221
SER210
2.694
PRO211
3.386
LEU212
2.920
|
|||||
| PDB ID: 2IQD Crystal Structure of Aldose Reductase complexed with Lipoic Acid | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [56] |
| PDB Sequence |
ASRLLLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.289
THR19
3.132
TRP20
2.981
LYS21
3.037
ASP43
2.575
TYR48
3.285
LYS77
3.550
HIS110
3.429
TRP111
3.785
SER159
2.857
ASN160
2.946
GLN183
2.988
TYR209
3.278
SER210
2.847
PRO211
3.458
LEU212
3.046
|
|||||
| PDB ID: 2ISF Crystal Structure of C298A W219Y Aldose Reductase complexed with Phenylacetic Acid | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [56] |
| PDB Sequence |
SRLLLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PTGFKPGKEF121 FPLDESGNVV131 PSDTNILDTW141 AAMEELVDEG151 LVKAIGISNF 161 NHLQVEMILN171 KPGLKYKPAV181 NQIECHPYLT191 QEKLIQYCQS201 KGIVVTAYSP 211 LGSPDRPYAK221 PEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVAALL301 SCTSHKDYPF 311 HEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.366
THR19
3.153
TRP20
2.871
LYS21
2.855
ASP43
2.575
TYR48
3.407
LYS77
3.525
HIS110
3.507
TRP111
3.960
SER159
2.818
ASN160
2.876
GLN183
2.948
TYR209
3.287
SER210
2.885
PRO211
3.420
LEU212
2.952
|
|||||
| PDB ID: 1EF3 FIDARESTAT BOUND TO HUMAN ALDOSE REDUCTASE | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [61] |
| PDB Sequence |
ASRLLLNNGA
10 KMPILGLGTW20 KSPPGQVTEA30 VKVAIDVGYR40 HIDCAHVYQN50 ENEVGVAIQE 60 KLREQVVKRE70 ELFIVSKLWC80 TYHEKGLVKG90 ACQKTLSDLK100 LDYLDLYLIH 110 WPTGFKPGKE120 FFPLDESGNV130 VPSDTNILDT140 WAAMEELVDE150 GLVKAIGISN 160 FNHLQVEMIL170 NKPGLKYKPA180 VNQIECHPYL190 TQEKLIQYCQ200 SKGIVVTAYS 210 PLGSPDRPWA220 KPEDPSLLED230 PRIKAIAAKH240 NKTTAQVLIR250 FPMQRNLVVI 260 PKSVTPERIA270 ENFKVFDFEL280 SSQDMTTLLS290 YNRNWRVCAL300 LSCTSHKDYP 310 FHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:17 or .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU17
4.787
GLY18
3.090
THR19
3.037
TRP20
3.066
LYS21
3.176
ASP43
2.853
TYR48
3.237
LYS77
3.519
HIS110
3.452
TRP111
4.444
SER159
2.848
ASN160
3.207
GLN183
2.571
TYR209
3.318
SER210
2.980
PRO211
3.502
LEU212
2.992
|
|||||
| PDB ID: 1AZ2 CITRATE BOUND, C298A/W219Y MUTANT HUMAN ALDOSE REDUCTASE | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | Yes | [59] |
| PDB Sequence |
SRLLLNNGAK
11 MPILGLGTWK21 SPPGQVTEAV31 KVAIDVGYRH41 IDCAHVYQNE51 NEVGVAIQEK 61 LREQVVKREE71 LFIVSKLWCT81 YHEKGLVKGA91 CQKTLSDLKL101 DYLDLYLIHW 111 PTGFKPGKEF121 FPLDESGNVV131 PSDTNILDTW141 AAMEELVDEG151 LVKAIGISNF 161 NHLQVEMILN171 KPGLKYKPAV181 NQIECHPYLT191 QEKLIQYCQS201 KGIVVTAYSP 211 LGSPDRPYAK221 PEDPSLLEDP231 RIKAIAAKHN241 KTTAQVLIRF251 PMQRNLVVIP 261 KSVTPERIAE271 NFKVFDFELS281 SQDMTTLLSY291 NRNWRVAALL301 SCTSHKDYPF 311 HEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.149
THR19
3.311
TRP20
3.262
LYS21
2.652
ASP43
2.531
TYR48
3.109
LYS77
3.747
HIS110
3.494
TRP111
3.815
SER159
2.848
ASN160
3.344
GLN183
2.770
TYR209
3.164
SER210
2.666
PRO211
3.371
LEU212
3.440
|
|||||
| PDB ID: 2AGT Aldose Reductase Mutant Leu 300 Pro complexed with Fidarestat | ||||||
| Method | X-ray diffraction | Resolution | 1.00 Å | Mutation | Yes | [62] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 PLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.339
THR19
3.255
TRP20
2.917
LYS21
2.821
ASP43
2.694
TYR48
3.362
LYS77
3.867
HIS110
3.378
TRP111
4.070
SER159
2.839
ASN160
2.882
GLN183
2.918
TYR209
3.126
SER210
2.827
PRO211
3.366
LEU212
2.825
|
|||||
| PDB ID: 3T42 Human aldose reductase in complex with a nitrile-containing IDD inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.28 Å | Mutation | No | [63] |
| PDB Sequence |
MASRILLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.353
THR19
3.201
TRP20
2.943
LYS21
2.832
ASP43
2.652
TYR48
3.276
LYS77
3.630
HIS110
3.506
TRP111
3.677
SER159
2.827
ASN160
2.942
GLN183
2.926
TYR209
3.074
SER210
2.790
PRO211
3.351
LEU212
2.763
GLY213
3.232
|
|||||
| PDB ID: 3S3G Crystal Structure of Human Aldose Reductase Complexed with Tolmetin | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [64] |
| PDB Sequence |
MASRLLLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:297 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.317
THR19
3.343
TRP20
2.890
LYS21
2.843
ASP43
2.651
TYR48
3.279
LYS77
3.788
HIS110
3.347
TRP111
3.813
SER159
2.813
ASN160
2.933
GLN183
2.921
TYR209
3.015
SER210
2.676
PRO211
3.346
LEU212
2.789
GLY213
3.301
|
|||||
| PDB ID: 3RX2 Crystal Structure of Human Aldose Reductase Complexed with Sulindac Sulfone | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [64] |
| PDB Sequence |
SHMASRLLLN
7 NGAKMPILGL17 GTWKSPPGQV27 TEAVKVAIDV37 GYRHIDCAHV47 YQNENEVGVA 57 IQEKLREQVV67 KREELFIVSK77 LWCTYHEKGL87 VKGACQKTLS97 DLKLDYLDLY 107 LIHWPTGFKP117 GKEFFPLDES127 GNVVPSDTNI137 LDTWAAMEEL147 VDEGLVKAIG 157 ISNFNHLQVE167 MILNKPGLKY177 KPAVNQIECH187 PYLTQEKLIQ197 YCQSKGIVVT 207 AYSPLGSPDR217 PWAKPEDPSL227 LEDPRIKAIA237 AKHNKTTAQV247 LIRFPMQRNL 257 VVIPKSVTPE267 RIAENFKVFD277 FELSSQDMTT287 LLSYNRNWRV297 CALLSCTSHK 307 DYPFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.422
THR19
3.210
TRP20
2.888
LYS21
2.840
ASP43
2.676
TYR48
3.316
LYS77
3.858
HIS110
3.345
TRP111
3.986
SER159
2.777
ASN160
2.954
GLN183
3.047
TYR209
3.112
SER210
2.747
PRO211
3.372
LEU212
2.791
|
|||||
| PDB ID: 3RX3 Crystal Structure of Human Aldose Reductase Complexed with Sulindac | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [64] |
| PDB Sequence |
SHMASRLLLN
7 NGAKMPILGL17 GTWKSPPGQV27 TEAVKVAIDV37 GYRHIDCAHV47 YQNENEVGVA 57 IQEKLREQVV67 KREELFIVSK77 LWCTYHEKGL87 VKGACQKTLS97 DLKLDYLDLY 107 LIHWPTGFKP117 GKEFFPLDES127 GNVVPSDTNI137 LDTWAAMEEL147 VDEGLVKAIG 157 ISNFNHLQVE167 MILNKPGLKY177 KPAVNQIECH187 PYLTQEKLIQ197 YCQSKGIVVT 207 AYSPLGSPDR217 PWAKPEDPSL227 LEDPRIKAIA237 AKHNKTTAQV247 LIRFPMQRNL 257 VVIPKSVTPE267 RIAENFKVFD277 FELSSQDMTT287 LLSYNRNWRV297 CALLSCTSHK 307 DYPFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.390
THR19
3.141
TRP20
2.908
LYS21
2.872
ASP43
2.673
TYR48
3.250
LYS77
3.832
HIS110
3.333
TRP111
3.843
SER159
2.861
ASN160
2.919
GLN183
3.027
TYR209
3.159
SER210
2.719
PRO211
3.323
LEU212
2.767
|
|||||
| PDB ID: 3V35 Aldose reductase complexed with a nitro compound | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [65] |
| PDB Sequence |
MASRLLLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:243 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.337
THR19
3.163
TRP20
2.902
LYS21
2.759
ASP43
2.577
TYR48
3.174
LYS77
3.635
HIS110
3.276
TRP111
4.333
SER159
2.793
ASN160
3.062
GLN183
2.880
TYR209
3.179
SER210
2.698
PRO211
3.356
LEU212
2.828
GLY213
3.299
|
|||||
| PDB ID: 3RX4 Crystal Structure of Human Aldose Reductase complexed with Sulindac Sulfide | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [64] |
| PDB Sequence |
SHMASRLLLN
7 NGAKMPILGL17 GTWKSPPGQV27 TEAVKVAIDV37 GYRHIDCAHV47 YQNENEVGVA 57 IQEKLREQVV67 KREELFIVSK77 LWCTYHEKGL87 VKGACQKTLS97 DLKLDYLDLY 107 LIHWPTGFKP117 GKEFFPLDES127 GNVVPSDTNI137 LDTWAAMEEL147 VDEGLVKAIG 157 ISNFNHLQVE167 MILNKPGLKY177 KPAVNQIECH187 PYLTQEKLIQ197 YCQSKGIVVT 207 AYSPLGSPDR217 PWAKPEDPSL227 LEDPRIKAIA237 AKHNKTTAQV247 LIRFPMQRNL 257 VVIPKSVTPE267 RIAENFKVFD277 FELSSQDMTT287 LLSYNRNWRV297 CALLSCTSHK 307 DYPFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.398
THR19
3.164
TRP20
2.938
LYS21
2.824
ASP43
2.651
TYR48
3.347
LYS77
3.856
HIS110
3.354
TRP111
4.102
SER159
2.802
ASN160
2.959
GLN183
2.974
TYR209
3.053
SER210
2.791
PRO211
3.403
LEU212
2.805
|
|||||
| PDB ID: 3V36 Aldose reductase complexed with glceraldehyde | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [65] |
| PDB Sequence |
MASRLLLNNG
9 AKMPILGLGT19 WKSPPGQVTE29 AVKVAIDVGY39 RHIDCAHVYQ49 NENEVGVAIQ 59 EKLREQVVKR69 EELFIVSKLW79 CTYHEKGLVK89 GACQKTLSDL99 KLDYLDLYLI 109 HWPTGFKPGK119 EFFPLDESGN129 VVPSDTNILD139 TWAAMEELVD149 EGLVKAIGIS 159 NFNHLQVEMI169 LNKPGLKYKP179 AVNQIECHPY189 LTQEKLIQYC199 QSKGIVVTAY 209 SPLGSPDRPW219 AKPEDPSLLE229 DPRIKAIAAK239 HNKTTAQVLI249 RFPMQRNLVV 259 IPKSVTPERI269 AENFKVFDFE279 LSSQDMTTLL289 SYNRNWRVCA299 LLSCTSHKDY 309 PFHEEF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:18 or .A:19 or .A:20 or .A:21 or .A:43 or .A:48 or .A:77 or .A:110 or .A:111 or .A:159 or .A:160 or .A:183 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:228 or .A:245 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY18
3.379
THR19
3.234
TRP20
2.914
LYS21
2.817
ASP43
2.684
TYR48
3.357
LYS77
3.732
HIS110
3.514
TRP111
4.062
SER159
2.877
ASN160
2.910
GLN183
2.872
TYR209
3.173
SER210
2.880
PRO211
3.390
LEU212
2.828
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Modulation of aldose reductase inhibition by halogen bond tuning. ACS Chem Biol. 2013 Nov 15;8(11):2484-92. | ||||
| REF 2 | Unusual binding mode of the 2S4R stereoisomer of the potent aldose reductase cyclic imide inhibitor fidarestat (2S4S) in the 15 K crystal structure of the ternary complex refined at 0.78 A resolution: implications for the inhibition mechanism. J Med Chem. 2008 Mar 13;51(5):1478-81. | ||||
| REF 3 | The atomic resolution structure of human aldose reductase reveals that rearrangement of a bound ligand allows the opening of the safety-belt loop. Acta Crystallogr D Biol Crystallogr. 2007 Jun;63(Pt 6):665-72. | ||||
| REF 4 | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design. Acta Crystallogr D Biol Crystallogr. 2014 Mar;70(Pt 3):889-903. | ||||
| REF 5 | The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition. ACS Chem Biol. 2015 Jul 17;10(7):1637-42. | ||||
| REF 6 | Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors. Proteins. 2004 Jun 1;55(4):805-13. | ||||
| REF 7 | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation. Sci Rep. 2019 Feb 28;9(1):3177. | ||||
| REF 8 | human Aldose Reductase in complex with SAR25 | ||||
| REF 9 | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors. J Mol Biol. 2011 Mar 11;406(5):700-12. | ||||
| REF 10 | Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase. Eur J Med Chem. 2018 May 25;152:160-174. | ||||
| REF 11 | Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) | ||||
| REF 12 | High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group. J Mol Biol. 2006 Feb 10;356(1):45-56. | ||||
| REF 13 | Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) | ||||
| REF 14 | Keys to open the specificity pocket: Biphenylic Inhibitors of the human aldose reductase | ||||
| REF 15 | Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) | ||||
| REF 16 | Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) | ||||
| REF 17 | Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) | ||||
| REF 18 | Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation | ||||
| REF 19 | The Crystallographic Structure of Alr2-Idd393 Complex Confirms Leu300 as a Specificity Determinant | ||||
| REF 20 | An old NSAID revisited: crystal structure of aldose reductase in complex with sulindac at 1.0 ? supports a novel mechanism for its anticancer and antiproliferative effects. ChemMedChem. 2011 Dec 9;6(12):2155-7. | ||||
| REF 21 | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10. ChemMedChem. 2015 Dec;10(12):1989-2003. | ||||
| REF 22 | Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) | ||||
| REF 23 | Keys to open the specificity pocket: Biphenylic Inhibitors of the human aldose reductase | ||||
| REF 24 | The crystallographic structure of the aldose reductase-IDD552 complex shows direct proton donation from tyrosine 48. Acta Crystallogr D Biol Crystallogr. 2004 Aug;60(Pt 8):1347-54. | ||||
| REF 25 | Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation | ||||
| REF 26 | Human Aldose Reductase in complex with SAR25 | ||||
| REF 27 | Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase. Biochim Biophys Acta. 2011 Sep;1810(9):879-87. | ||||
| REF 28 | Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis. ACS Chem Biol. 2017 May 19;12(5):1397-1415. | ||||
| REF 29 | Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions. J Mol Biol. 2006 Oct 13;363(1):174-87. | ||||
| REF 30 | Structure of Human Aldose Reductase Mutant L301A with a Citrate Molecule Bound in the Anion Binding Pocket | ||||
| REF 31 | Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation | ||||
| REF 32 | Human Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation | ||||
| REF 33 | Human Aldose Reductase in complex with SAR25 | ||||
| REF 34 | Identification of novel aldose reductase inhibitors based on carboxymethylated mercaptotriazinoindole scaffold. J Med Chem. 2015 Mar 26;58(6):2649-57. | ||||
| REF 35 | Structure of Human Aldose Reductase Mutant L300A with a Citrate Molecule Bound in the Anion Binding Pocket | ||||
| REF 36 | High-resolution structures of human aldose reductase holoenzyme in complex with stereoisomers of the potent inhibitor Fidarestat: stereospecific interaction between the enzyme and a cyclic imide type inhibitor. J Med Chem. 2004 Aug 26;47(18):4530-7. | ||||
| REF 37 | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J Mol Biol. 2008 Jun 20;379(5):991-1016. | ||||
| REF 38 | Structural and thermodynamic study on aldose reductase: nitro-substituted inhibitors with strong enthalpic binding contribution. J Mol Biol. 2007 May 4;368(3):618-38. | ||||
| REF 39 | Structure-based optimization of aldose reductase inhibitors originating from virtual screening. ChemMedChem. 2009 May;4(5):809-19. | ||||
| REF 40 | Evidence for a novel binding site conformer of aldose reductase in ligand-bound state. J Mol Biol. 2007 May 25;369(1):186-97. | ||||
| REF 41 | The role of Cys-298 in aldose reductase function. J Biol Chem. 2011 Feb 25;286(8):6336-44. | ||||
| REF 42 | Characterization of WY 14,643 and its Complex with Aldose Reductase. Sci Rep. 2016 Oct 10;6:34394. | ||||
| REF 43 | Structure of Human Aldose Reductase Mutant L300/301A with a Citrate Molecule Bound in the Anion Binding Pocket | ||||
| REF 44 | The structure of human aldose reductase bound to the inhibitor IDD384. Acta Crystallogr D Biol Crystallogr. 2000 May;56(Pt 5):536-40. | ||||
| REF 45 | Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase. Proc Natl Acad Sci U S A. 2008 Feb 12;105(6):1844-8. | ||||
| REF 46 | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: role of Trp112 (Trp111). FEBS Lett. 2013 Nov 15;587(22):3681-6. | ||||
| REF 47 | The structure of human recombinant aldose reductase complexed with the potent inhibitor zenarestat. Acta Crystallogr D Biol Crystallogr. 2002 Apr;58(Pt 4):622-6. | ||||
| REF 48 | Complex of Aldose Reductase with inhibitor IDD 1219 | ||||
| REF 49 | Keys to open the specificity pocket: Biphenylic Inhibitors of the human aldose reductase | ||||
| REF 50 | Radiation damage reveals promising interaction position. J Synchrotron Radiat. 2011 Sep;18(Pt 5):782-9. | ||||
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