Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T70176 | Target Info | |||
| Target Name | Cyclin-dependent kinase 2 (CDK2) | ||||
| Synonyms | Sin3 associated polypeptide; SIN3-associated protein; P33 protein kinase; Cell division protein kinase 2; CDKN2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CDK2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Adenosine triphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N | ||||
| InChI | 1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | ZKHQWZAMYRWXGA-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 5957 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1HCK HUMAN CYCLIN-DEPENDENT KINASE 2 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
|
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|
ILE10
3.248
GLY11
4.324
GLU12
4.004
GLY13
3.292
THR14
2.837
TYR15
3.488
GLY16
3.645
VAL18
3.311
ALA31
3.188
LYS33
2.911
VAL64
3.831
PHE80
3.851
|
|||||
| PDB ID: 1FIN CYCLIN A-CYCLIN-DEPENDENT KINASE 2 COMPLEX | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYT 160 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHLRL
|
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|
|
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| PDB ID: 2CJM Mechanism of CDK inhibition by active site phosphorylation: CDK2 Y15p T160p in complex with cyclin A structure | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [3] |
| PDB Sequence |
MENFQKVEKI
10 GEGTGVVYKA21 RNKLTGEVVA31 LKKIREGVPS46 TAIREISLLK56 ELNHPNIVKL 66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS106 YLFQLLQGLA 116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV156 RTYHEVVTLW 167 YRAPEILLGC177 KYYSTAVDIW187 SLGCIFAEMV197 TRRALFPGDS207 EIDQLFRIFR 217 TLGTPDEVVW227 PGVTSMPDYK237 PSFPKWARQD247 FSKVVPPLDE257 DGRSLLSQML 267 HYDPNKRISA277 KAALAHPFFQ287 DVTKP
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| PDB ID: 1JST PHOSPHORYLATED CYCLIN-DEPENDENT KINASE-2 BOUND TO CYCLIN A | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [4] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLRL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ATP or .ATP2 or .ATP3 or :3ATP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:86 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
3.352
GLY11
2.664
GLU12
3.268
GLY13
2.911
THR14
2.522
TYR15
3.100
GLY16
4.025
VAL18
3.026
ALA31
3.458
LYS33
2.637
GLU51
3.448
VAL64
3.812
|
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| PDB ID: 1FQ1 CRYSTAL STRUCTURE OF KINASE ASSOCIATED PHOSPHATASE (KAP) IN COMPLEX WITH PHOSPHO-CDK2 | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [5] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ATP or .ATP2 or .ATP3 or :3ATP;style chemicals stick;color identity;select .B:10 or .B:11 or .B:12 or .B:13 or .B:14 or .B:18 or .B:31 or .B:33 or .B:64 or .B:80 or .B:81 or .B:82 or .B:83 or .B:84 or .B:85 or .B:86 or .B:89 or .B:127 or .B:129 or .B:131 or .B:132 or .B:134 or .B:144 or .B:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
3.273
GLY11
3.954
GLU12
4.685
GLY13
2.834
THR14
3.551
VAL18
3.459
ALA31
3.257
LYS33
2.603
VAL64
4.943
PHE80
4.245
GLU81
2.597
PHE82
3.648
|
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| PDB ID: 2CCH The crystal structure of CDK2 cyclin A in complex with a substrate peptide derived from CDC modified with a gamma-linked ATP analogue | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [6] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ATP or .ATP2 or .ATP3 or :3ATP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:15 or .A:18 or .A:31 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:85 or .A:86 or .A:89 or .A:129 or .A:131 or .A:132 or .A:134 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 1B38 HUMAN CYCLIN-DEPENDENT KINASE 2 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [7] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ATP or .ATP2 or .ATP3 or :3ATP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:86 or .A:89 or .A:127 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
3.156
GLY11
3.762
GLU12
3.529
GLY13
3.108
THR14
2.440
TYR15
3.989
GLY16
3.696
VAL18
3.399
ALA31
3.427
LYS33
2.787
VAL64
3.697
PHE80
3.629
|
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| PDB ID: 1B39 HUMAN CYCLIN-DEPENDENT KINASE 2 PHOSPHORYLATED ON THR 160 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [7] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIVPSTA48 IREISLLKEL58 NHPNIVKLLD 68 VIHTENKLYL78 VFEFLHQDLK88 KFMDASALTG98 IPLPLIKSYL108 FQLLQGLAFC 118 HSHRVLHRDL128 KPQNLLINTE138 GAIKLADFGL148 ARAFGVPVRT158 YTHEVVTLWY 168 RAPEILLGCK178 YYSTAVDIWS188 LGCIFAEMVT198 RRALFPGDSE208 IDQLFRIFRT 218 LGTPDEVVWP228 GVTSMPDYKP238 SFPKWARQDF248 SKVVPPLDED258 GRSLLSQMLH 268 YDPNKRISAK278 AALAHPFFQD288 VTKPVPHLRL298
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ATP or .ATP2 or .ATP3 or :3ATP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:86 or .A:89 or .A:127 or .A:129 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145 or .A:164; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE10
3.302
GLY11
3.936
GLU12
3.619
GLY13
3.505
THR14
2.712
TYR15
3.911
GLY16
3.879
VAL18
3.287
ALA31
3.488
LYS33
2.423
VAL64
3.771
PHE80
3.911
GLU81
2.855
|
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| PDB ID: 4EOO Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with ATP | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [8] |
| PDB Sequence |
GSMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLE42 GVPSTAIREI52 SLLKELNHPN 62 IVKLLDVIHT72 ENKLYLVFEF82 LHQDLKKFMD92 ASALTGIPLP102 LIKSYLFQLL 112 QGLAFCHSHR122 VLHRDLKPEN132 LLINTEGAIK142 LADFGLARAF152 GVPVRTYHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PHLR
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ATP or .ATP2 or .ATP3 or :3ATP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:86 or .A:89 or .A:129 or .A:131 or .A:132 or .A:134 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
3.583
GLY11
3.644
GLU12
2.939
GLY13
3.024
THR14
3.763
VAL18
3.824
ALA31
3.562
LYS33
2.792
GLU51
4.831
VAL64
3.844
PHE80
3.754
|
|||||
| PDB ID: 1QMZ PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [9] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHL
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ATP or .ATP2 or .ATP3 or :3ATP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:86 or .A:89 or .A:127 or .A:129 or .A:131 or .A:132 or .A:134 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE10
2.982
GLY11
3.937
GLU12
3.055
GLY13
2.891
THR14
3.472
VAL18
3.894
ALA31
3.470
LYS33
2.998
GLU51
4.819
VAL64
4.059
PHE80
3.846
|
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| PDB ID: 1GY3 pCDK2/cyclin A in complex with MgADP, nitrate and peptide substrate | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [10] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRLDTE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLHQDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 QNLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ATP or .ATP2 or .ATP3 or :3ATP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:86 or .A:89 or .A:131 or .A:132 or .A:134 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2CCI Crystal structure of phospho-CDK2 Cyclin A in complex with a peptide containing both the substrate and recruitment sites of CDC6 | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [6] |
| PDB Sequence |
SMENFQKVEK
9 IGEGTYGVVY19 KARNKLTGEV29 VALKKIRLDT39 ETEGVPSTAI49 REISLLKELN 59 HPNIVKLLDV69 IHTENKLYLV79 FEFLHQDLKK89 FMDASALTGI99 PLPLIKSYLF 109 QLLQGLAFCH119 SHRVLHRDLK129 PQNLLINTEG139 AIKLADFGLA149 RAFGVPVRTY 159 HEVVTLWYRA170 PEILLGCKYY180 STAVDIWSLG190 CIFAEMVTRR200 ALFPGDSEID 210 QLFRIFRTLG220 TPDEVVWPGV230 TSMPDYKPSF240 PKWARQDFSK250 VVPPLDEDGR 260 SLLSQMLHYD270 PNKRISAKAA280 LAHPFFQDVT290 KPVPHL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ATP or .ATP2 or .ATP3 or :3ATP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:86 or .A:131 or .A:132 or .A:134 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4EOM Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with ATP | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [8] |
| PDB Sequence |
GSMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLE40 TEGVPSTAIR50 EISLLKELNH 60 PNIVKLLDVI70 HTENKLYLVF80 EFLSMDLKKF90 MDASALTGIP100 LPLIKSYLFQ 110 LLQGLAFCHS120 HRVLHRDLKP130 ENLLINTEGA140 IKLADFGLAR150 AFGVPVRTYH 161 EVVTLWYRAP171 EILLGCKYYS181 TAVDIWSLGC191 IFAEMVTRRA201 LFPGDSEIDQ 211 LFRIFRTLGT221 PDEVVWPGVT231 SMPDYKPSFP241 KWARQDFSKV251 VPPLDEDGRS 261 LLSQMLHYDP271 NKRISAKAAL281 AHPFFQDVTK291 PVPHLR
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ATP or .ATP2 or .ATP3 or :3ATP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:51 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:131 or .A:132 or .A:134 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4EOQ Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with ATP | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [8] |
| PDB Sequence |
GSMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLT41 EGVPSTAIRE51 ISLLKELNHP 61 NIVKLLDVIH71 TENKLYLVFE81 FLHQDLKKFM91 DASALTGIPL101 PLIKSYLFQL 111 LQGLAFCHSH121 RVLHRDLKPQ131 NLLINTEGAI141 KLADFGLARA151 FGVPVRTYHE 162 VVTLWYRAPE172 ILLGCKYYST182 AVDIWSLGCI192 FAEMVTRRAL202 FPGDSEIDQL 212 FRIFRTLGTP222 DEVVWPGVTS232 MPDYKPSFPK242 WARQDFSKVV252 PPLDEDGRSL 262 LSQMLHYDPN272 KRISAKAALA282 HPFFQDVTKP292 VPHLR
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ATP or .ATP2 or .ATP3 or :3ATP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:86 or .A:129 or .A:131 or .A:132 or .A:134 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4EOJ Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with ATP | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [8] |
| PDB Sequence |
GSMENFQKVE
8 KIGEGTYGVV18 YKARNKLTGE28 VVALKKIRLE42 GVPSTAIREI52 SLLKELNHPN 62 IVKLLDVIHT72 ENKLYLVFEF82 LSMDLKDFMD92 ASALTGIPLP102 LIKSYLFQLL 112 QGLAFCHSHR122 VLHRDLKPQN132 LLINTEGAIK142 LADFGLARAF152 GVPVRTYHEV 163 VTLWYRAPEI173 LLGCKYYSTA183 VDIWSLGCIF193 AEMVTRRALF203 PGDSEIDQLF 213 RIFRTLGTPD223 EVVWPGVTSM233 PDYKPSFPKW243 ARQDFSKVVP253 PLDEDGRSLL 263 SQMLHYDPNK273 RISAKAALAH283 PFFQDVTKPV293 PHLRL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ATP or .ATP2 or .ATP3 or :3ATP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:18 or .A:31 or .A:33 or .A:64 or .A:80 or .A:81 or .A:82 or .A:83 or .A:86 or .A:127 or .A:129 or .A:131 or .A:132 or .A:134 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design. J Med Chem. 1996 Nov 8;39(23):4540-6. | ||||
| REF 2 | Mechanism of CDK activation revealed by the structure of a cyclinA-CDK2 complex. Nature. 1995 Jul 27;376(6538):313-20. | ||||
| REF 3 | How tyrosine 15 phosphorylation inhibits the activity of cyclin-dependent kinase 2-cyclin A. J Biol Chem. 2007 Feb 2;282(5):3173-81. | ||||
| REF 4 | Structural basis of cyclin-dependent kinase activation by phosphorylation. Nat Struct Biol. 1996 Aug;3(8):696-700. | ||||
| REF 5 | Phosphoprotein-protein interactions revealed by the crystal structure of kinase-associated phosphatase in complex with phosphoCDK2. Mol Cell. 2001 Mar;7(3):615-26. | ||||
| REF 6 | The role of the phospho-CDK2/cyclin A recruitment site in substrate recognition. J Biol Chem. 2006 Aug 11;281(32):23167-79. | ||||
| REF 7 | Effects of phosphorylation of threonine 160 on cyclin-dependent kinase 2 structure and activity. J Biol Chem. 1999 Mar 26;274(13):8746-56. | ||||
| REF 8 | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem Biol. 2012 Aug 24;19(8):1028-40. | ||||
| REF 9 | The structural basis for specificity of substrate and recruitment peptides for cyclin-dependent kinases. Nat Cell Biol. 1999 Nov;1(7):438-43. | ||||
| REF 10 | Structural studies on phospho-CDK2/cyclin A bound to nitrate, a transition state analogue: implications for the protein kinase mechanism. Biochemistry. 2002 Jun 11;41(23):7301-11. | ||||
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