Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T33124 | Target Info | |||
| Target Name | D-amino acid oxidase (DAO) | ||||
| Synonyms | Daminoacid oxidase; DAMOX; DAAO | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | DAO | ||||
| Biochemical Class | CH-NH(2) donor oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Flavin-Adenine Dinucleotide | Ligand Info | |||
| Canonical SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O | ||||
| InChI | 1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 | ||||
| InChIKey | VWWQXMAJTJZDQX-UYBVJOGSSA-N | ||||
| PubChem Compound ID | 643975 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7U9U Crystal structure of human D-amino acid oxidase in complex with inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [1] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKKLS340
|
|||||
|
|
ILE6
3.197
GLY7
2.104
ALA8
1.929
GLY9
2.374
VAL10
2.842
ILE11
2.222
GLY12
3.289
TYR35
3.826
ALA36
2.525
ASP37
2.086
ARG38
1.801
PHE39
3.831
THR43
2.608
THR44
1.706
THR45
1.842
ASP46
4.673
VAL47
2.265
ALA48
1.825
ALA49
3.270
GLY50
2.183
LEU51
1.970
TRP52
3.858
GLN53
3.960
LEU145
4.558
ARG162
2.440
LYS163
2.791
VAL164
1.956
GLU165
4.144
CYS181
2.912
THR182
2.419
GLY183
2.956
VAL184
4.221
TRP185
2.291
ALA188
3.505
LEU189
2.723
GLY198
4.156
ARG199
4.583
GLY200
2.314
GLN201
3.971
ILE202
2.170
TYR228
3.101
ILE230
4.227
THR237
4.571
ILE241
4.755
THR280
4.703
GLY281
2.520
PHE282
3.439
ARG283
2.500
PRO284
2.629
TYR309
4.327
GLY310
4.563
HIS311
2.744
GLY312
1.779
GLY313
2.399
TYR314
2.446
GLY315
2.192
LEU316
2.613
THR317
1.819
ILE318
4.534
|
|||||
| PDB ID: 3ZNN IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKKLS340
|
|||||
|
|
ILE6
3.892
GLY7
3.260
ALA8
2.788
GLY9
3.467
VAL10
3.639
ILE11
3.209
GLY12
4.343
TYR35
4.008
ALA36
3.500
ASP37
2.987
ARG38
2.725
PHE39
4.937
THR43
3.509
THR44
2.673
THR45
2.598
VAL47
3.703
ALA48
3.444
ALA49
3.699
GLY50
3.102
LEU51
2.785
ARG162
2.994
LYS163
3.577
VAL164
2.829
CYS181
3.435
THR182
3.311
GLY183
3.473
TRP185
3.301
LEU189
4.061
GLY198
4.680
GLY200
4.019
GLN201
4.340
ILE202
3.639
TYR228
3.493
ILE230
4.516
GLY281
3.858
PHE282
4.240
ARG283
3.503
PRO284
3.914
HIS311
3.634
GLY312
2.656
GLY313
3.298
TYR314
3.397
GLY315
3.173
LEU316
3.093
THR317
2.749
|
|||||
| PDB ID: 7U9S Crystal structure of human D-amino acid oxidase in complex with inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKK
|
|||||
|
|
ILE6
2.954
GLY7
2.153
ALA8
2.035
GLY9
2.131
VAL10
2.768
ILE11
2.305
GLY12
3.285
TYR35
3.597
ALA36
2.513
ASP37
2.374
ARG38
1.818
PHE39
3.754
THR43
2.519
THR44
1.716
THR45
1.726
ASP46
4.829
VAL47
2.400
ALA48
2.706
ALA49
3.041
GLY50
2.046
LEU51
1.890
TRP52
3.776
GLN53
4.076
LEU145
4.062
ARG162
2.601
LYS163
2.678
VAL164
1.777
GLU165
3.831
CYS181
2.906
THR182
2.442
GLY183
3.094
VAL184
4.470
TRP185
2.241
ALA188
3.564
LEU189
2.774
GLY198
4.248
ARG199
4.702
GLY200
2.791
GLN201
4.203
ILE202
2.539
TYR228
3.334
ILE230
4.016
THR237
4.406
THR280
4.845
GLY281
2.510
PHE282
3.337
ARG283
2.475
PRO284
2.655
TYR309
4.330
GLY310
4.534
HIS311
2.717
GLY312
1.914
GLY313
2.480
TYR314
2.709
GLY315
2.301
LEU316
2.637
THR317
1.785
ILE318
4.645
|
|||||
| PDB ID: 3ZNO IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKKLS340
|
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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 .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:162 or .A:163 or .A:164 or .A:165 or .A:181 or .A:182 or .A:183 or .A:185 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:230 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.525
GLY7
3.390
ALA8
2.817
GLY9
3.386
VAL10
3.485
ILE11
3.088
GLY12
4.351
TYR35
4.158
ALA36
3.407
ASP37
2.506
ARG38
2.736
PHE39
4.885
THR43
3.264
THR44
3.004
THR45
2.694
VAL47
3.626
ALA48
3.517
ALA49
3.584
GLY50
2.891
LEU51
2.802
ARG162
3.019
LYS163
3.662
VAL164
2.785
GLU165
4.976
CYS181
3.428
THR182
3.451
GLY183
3.298
TRP185
3.621
LEU189
4.251
GLY198
4.820
GLY200
4.289
GLN201
4.290
ILE202
3.619
TYR228
3.639
ILE230
4.695
GLY281
3.637
PHE282
4.538
ARG283
3.365
PRO284
4.022
HIS311
3.390
GLY312
2.647
GLY313
2.694
TYR314
3.498
GLY315
2.940
LEU316
3.139
THR317
2.752
|
|||||
| PDB ID: 3ZNP IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [2] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKKLS340
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:162 or .A:163 or .A:164 or .A:181 or .A:182 or .A:183 or .A:185 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:230 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.479
GLY7
3.317
ALA8
3.069
GLY9
3.585
VAL10
3.461
ILE11
3.075
GLY12
4.387
TYR35
3.908
ALA36
3.493
ASP37
3.230
ARG38
2.693
PHE39
4.938
THR43
3.465
THR44
2.886
THR45
2.666
VAL47
4.048
ALA48
3.390
ALA49
3.759
GLY50
3.242
LEU51
3.028
ARG162
3.309
LYS163
3.899
VAL164
2.812
CYS181
3.325
THR182
3.072
GLY183
3.472
TRP185
3.329
LEU189
3.936
GLY198
4.745
GLY200
4.108
GLN201
4.705
ILE202
3.959
TYR228
4.096
ILE230
4.611
GLY281
3.394
PHE282
3.847
ARG283
3.549
PRO284
3.838
HIS311
3.703
GLY312
2.786
GLY313
3.274
TYR314
3.510
GLY315
3.113
LEU316
3.250
THR317
2.712
|
|||||
| PDB ID: 4QFC Co-crystal structure of compound 3 (4-hydroxy-6-[2-(7-hydroxy-2-oxo-4-phenyl-2h-chromen-6-yl)ethyl]pyridazin-3(2h)-one) and FAD bound to human DAAO at 2.4A | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [3] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDIY224 NSPYIIPGTQ234 TVTLGGIFQL244 GNWSELNNIQ254 DHNTIWEGCC 264 RLEPTLKNAR274 IIGERTGFRP284 VRPQIRLERE294 QLRTNTEVIH307 NYGHGGYGLT 317 IHWGCALEAA327 KLFGRILEEK337
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:162 or .A:163 or .A:164 or .A:181 or .A:182 or .A:183 or .A:185 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.717
GLY7
3.467
ALA8
2.953
GLY9
3.335
VAL10
3.355
ILE11
3.072
GLY12
4.058
TYR35
4.263
ALA36
3.394
ASP37
2.515
ARG38
2.717
PHE39
4.922
THR43
3.639
THR44
2.704
THR45
2.493
VAL47
3.609
ALA48
3.549
ALA49
3.808
GLY50
3.079
LEU51
3.300
ARG162
3.012
LYS163
3.649
VAL164
2.826
CYS181
3.545
THR182
3.343
GLY183
3.474
TRP185
3.506
LEU189
3.911
GLY198
4.584
GLY200
4.300
GLN201
4.463
ILE202
3.533
TYR228
3.872
GLY281
3.793
PHE282
4.104
ARG283
3.505
PRO284
3.820
HIS311
3.836
GLY312
2.649
GLY313
3.336
TYR314
3.228
GLY315
3.127
LEU316
2.774
THR317
2.990
|
|||||
| PDB ID: 3CUK Crystal structure of human D-amino acid oxidase: bound to an inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [4] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLPQEA 65 DWSQQTFDYL75 LSHVHSPNAE85 NLGLFLISGY95 NLFHEAIPDP105 SWKDTVLGFR 115 KLTPRELDMF125 PDYGYGWFHT135 SLILEGKNYL145 QWLTERLTER155 GVKFFQRKVE 165 SFEEVAREGA175 DVIVNCTGVW185 AGALQRDPLL195 QPGRGQIMKV205 DAPWMKHFIL 215 THDPERGIYN225 SPYIIPGTQT235 VTLGGIFQLG245 NWSELNNIQD255 HNTIWEGCCR 265 LEPTLKNARI275 IGERTGFRPV285 RPQIRLEREQ295 LNTEVIHNYG310 HGGYGLTIHW 320 GCALEAAKLF330 GRILEEK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:35 or .A:36 or .A:37 or .A:38 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:162 or .A:163 or .A:164 or .A:165 or .A:181 or .A:182 or .A:183 or .A:185 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:230 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.533
GLY7
3.352
ALA8
2.991
GLY9
3.322
VAL10
3.576
ILE11
3.034
GLY12
4.355
TYR35
3.864
ALA36
3.232
ASP37
3.048
ARG38
2.855
THR43
3.535
THR44
2.311
THR45
2.553
VAL47
4.001
ALA48
3.251
ALA49
3.879
GLY50
2.988
LEU51
2.787
ARG162
3.317
LYS163
3.606
VAL164
2.775
GLU165
4.977
CYS181
3.469
THR182
3.566
GLY183
3.515
TRP185
3.623
LEU189
4.150
GLY198
4.842
GLY200
4.144
GLN201
4.410
ILE202
3.967
TYR228
3.708
ILE230
4.606
GLY281
3.943
PHE282
4.176
ARG283
3.499
PRO284
3.812
HIS311
3.939
GLY312
2.654
GLY313
3.519
TYR314
3.206
GLY315
3.271
LEU316
2.974
THR317
2.629
|
|||||
| PDB ID: 2DU8 Crystal structure of human D-amino acid oxidase | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [5] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKKLS340
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:35 or .A:36 or .A:37 or .A:38 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:162 or .A:163 or .A:164 or .A:181 or .A:182 or .A:183 or .A:185 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:230 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.844
GLY7
3.261
ALA8
2.973
GLY9
3.428
VAL10
3.519
ILE11
2.958
GLY12
4.190
TYR35
4.180
ALA36
3.502
ASP37
3.045
ARG38
2.766
THR43
3.693
THR44
2.845
THR45
2.730
VAL47
3.886
ALA48
3.390
ALA49
3.775
GLY50
3.389
LEU51
2.922
ARG162
3.297
LYS163
3.663
VAL164
2.933
CYS181
3.652
THR182
3.267
GLY183
3.495
TRP185
3.450
LEU189
3.915
GLY198
4.708
GLY200
4.128
GLN201
4.452
ILE202
3.738
TYR228
4.169
ILE230
4.906
GLY281
3.640
PHE282
3.969
ARG283
3.704
PRO284
4.141
HIS311
4.075
GLY312
2.989
GLY313
3.285
TYR314
3.325
GLY315
3.184
LEU316
2.910
THR317
2.920
|
|||||
| PDB ID: 3W4I Crystal Structure of human DAAO in complex with coumpound 8 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [6] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKKLS340
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:162 or .A:163 or .A:164 or .A:181 or .A:182 or .A:183 or .A:185 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:230 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.885
GLY7
3.254
ALA8
3.117
GLY9
3.319
VAL10
3.227
ILE11
2.963
GLY12
4.332
TYR35
4.056
ALA36
3.334
ASP37
2.925
ARG38
2.711
PHE39
4.930
THR43
3.756
THR44
3.540
THR45
2.594
VAL47
3.859
ALA48
3.291
ALA49
3.837
GLY50
3.205
LEU51
3.017
ARG162
3.264
LYS163
3.697
VAL164
2.959
CYS181
3.533
THR182
3.401
GLY183
3.631
TRP185
3.396
LEU189
4.034
GLY198
4.589
GLY200
3.992
GLN201
4.288
ILE202
3.640
TYR228
3.986
ILE230
4.539
GLY281
3.546
PHE282
3.861
ARG283
3.520
PRO284
3.991
HIS311
3.954
GLY312
2.844
GLY313
3.256
TYR314
3.577
GLY315
2.943
LEU316
3.219
THR317
2.927
|
|||||
| PDB ID: 2E4A Crystal Structure of Human D-Amino Acid Oxidase in complex with o-aminobenzoate | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [7] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKKLS340
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:52 or .A:162 or .A:163 or .A:164 or .A:181 or .A:182 or .A:183 or .A:184 or .A:185 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.848
GLY7
3.325
ALA8
3.813
GLY9
3.270
VAL10
3.380
ILE11
3.615
TYR35
4.678
ALA36
3.867
ASP37
2.989
ARG38
2.631
PHE39
4.555
THR43
3.682
THR44
3.200
THR45
3.038
VAL47
3.950
ALA48
3.272
ALA49
3.838
GLY50
3.217
LEU51
2.516
TRP52
4.732
ARG162
3.474
LYS163
3.637
VAL164
2.802
CYS181
3.936
THR182
3.156
GLY183
3.319
VAL184
4.475
TRP185
3.571
LEU189
3.851
GLY198
4.815
GLY200
4.594
GLN201
4.893
ILE202
3.764
TYR228
4.252
GLY281
4.191
PHE282
4.309
ARG283
3.583
PRO284
3.848
HIS311
3.913
GLY312
2.635
GLY313
3.426
TYR314
3.517
GLY315
3.209
LEU316
3.036
THR317
2.617
|
|||||
| PDB ID: 2E82 Crystal structure of human D-amino acid oxidase complexed with imino-DOPA | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [7] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKKLS340
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:52 or .A:162 or .A:163 or .A:164 or .A:181 or .A:182 or .A:183 or .A:184 or .A:185 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:230 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.603
GLY7
3.288
ALA8
3.481
GLY9
3.237
VAL10
3.624
ILE11
3.857
TYR35
4.449
ALA36
3.758
ASP37
3.020
ARG38
2.416
PHE39
4.292
THR43
3.633
THR44
3.310
THR45
2.810
VAL47
3.831
ALA48
3.166
ALA49
3.724
GLY50
3.164
LEU51
2.894
TRP52
4.971
ARG162
3.360
LYS163
3.767
VAL164
2.852
CYS181
3.933
THR182
3.357
GLY183
3.271
VAL184
4.446
TRP185
3.822
LEU189
3.703
GLY198
4.968
GLY200
4.305
GLN201
4.524
ILE202
3.510
TYR228
3.984
ILE230
4.561
GLY281
3.625
PHE282
4.064
ARG283
3.649
PRO284
3.587
HIS311
3.893
GLY312
2.570
GLY313
3.007
TYR314
3.320
GLY315
3.312
LEU316
2.969
THR317
2.808
|
|||||
| PDB ID: 3W4J Crystal Structure of human DAAO in complex with coumpound 12 | ||||||
| Method | X-ray diffraction | Resolution | 2.74 Å | Mutation | No | [6] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKKLS340
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:162 or .A:163 or .A:164 or .A:181 or .A:182 or .A:183 or .A:185 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:230 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.860
GLY7
3.162
ALA8
2.922
GLY9
3.331
VAL10
3.200
ILE11
2.889
GLY12
4.294
TYR35
4.227
ALA36
3.363
ASP37
2.760
ARG38
2.698
PHE39
4.960
THR43
3.506
THR44
3.184
THR45
2.572
VAL47
4.266
ALA48
3.454
ALA49
3.565
GLY50
3.184
LEU51
2.883
ARG162
3.481
LYS163
3.756
VAL164
3.091
CYS181
3.629
THR182
3.216
GLY183
3.587
TRP185
3.395
LEU189
3.826
GLY198
4.879
GLY200
4.326
GLN201
4.535
ILE202
3.676
TYR228
3.989
ILE230
4.765
GLY281
3.815
PHE282
4.274
ARG283
3.814
PRO284
3.969
HIS311
4.160
GLY312
2.944
GLY313
3.249
TYR314
3.482
GLY315
3.296
LEU316
3.121
THR317
2.837
|
|||||
| PDB ID: 3ZNQ IN VITRO AND IN VIVO INHIBITION OF HUMAN D-AMINO ACID OXIDASE: REGULATION OF D-SERINE CONCENTRATION IN THE BRAIN | ||||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [2] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:162 or .A:163 or .A:164 or .A:165 or .A:181 or .A:182 or .A:183 or .A:185 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:230 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.492
GLY7
3.469
ALA8
2.777
GLY9
3.359
VAL10
3.155
ILE11
3.189
GLY12
4.621
TYR35
3.935
ALA36
3.459
ASP37
3.160
ARG38
2.681
PHE39
4.917
THR43
3.652
THR44
2.829
THR45
2.595
VAL47
4.143
ALA48
3.255
ALA49
3.728
GLY50
3.347
LEU51
2.958
ARG162
3.299
LYS163
3.795
VAL164
2.782
GLU165
4.958
CYS181
3.421
THR182
3.272
GLY183
3.570
TRP185
3.263
LEU189
4.024
GLY198
4.832
GLY200
4.121
GLN201
4.599
ILE202
3.759
TYR228
3.865
ILE230
4.379
GLY281
3.633
PHE282
3.869
ARG283
3.610
PRO284
3.922
HIS311
3.427
GLY312
2.638
GLY313
3.016
TYR314
3.404
GLY315
3.036
LEU316
3.300
THR317
2.791
|
|||||
| PDB ID: 4QFD Co-crystal structure of compound 2 (3-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid) and FAD bound to human DAAO at 2.85A | ||||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [3] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHLDIKVY35 ADRFTPLTTT45 DVAAGLWQPY55 LPQEADWSQQ 70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT110 VLGFRKLTPR 120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF160 QRKVESFEEV 170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM210 KHFILTHDPE 220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW260 EGCCRLEPTL 270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTTE304 VIHNYGHGGY314 GLTIHWGCAL 324 EAAKLFGRIL334 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:162 or .A:163 or .A:164 or .A:181 or .A:182 or .A:183 or .A:185 or .A:186 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:230 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.854
GLY7
3.196
ALA8
2.861
GLY9
3.518
VAL10
3.533
ILE11
3.356
GLY12
4.101
TYR35
4.371
ALA36
3.337
ASP37
2.980
ARG38
2.679
PHE39
4.889
THR43
3.714
THR44
3.048
THR45
2.418
VAL47
3.606
ALA48
3.236
ALA49
3.620
GLY50
3.021
LEU51
2.864
ARG162
3.691
LYS163
4.087
VAL164
3.182
CYS181
3.623
THR182
3.045
GLY183
3.551
TRP185
3.281
ALA186
4.941
LEU189
4.033
GLY198
4.867
GLY200
4.049
GLN201
4.396
ILE202
4.065
TYR228
3.871
ILE230
4.473
GLY281
3.538
PHE282
3.819
ARG283
3.546
PRO284
3.888
HIS311
4.072
GLY312
2.731
GLY313
2.943
TYR314
3.384
GLY315
3.328
LEU316
3.151
THR317
2.927
|
|||||
| PDB ID: 3W4K Crystal Structure of human DAAO in complex with coumpound 13 | ||||||
| Method | X-ray diffraction | Resolution | 2.86 Å | Mutation | No | [6] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKKLS340
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:162 or .A:163 or .A:164 or .A:181 or .A:182 or .A:183 or .A:185 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.695
GLY7
3.110
ALA8
2.763
GLY9
3.215
VAL10
3.341
ILE11
3.436
GLY12
4.679
TYR35
4.425
ALA36
3.261
ASP37
2.777
ARG38
2.581
PHE39
4.755
THR43
3.786
THR44
3.103
THR45
2.602
VAL47
3.809
ALA48
3.347
ALA49
3.792
GLY50
3.051
LEU51
2.865
ARG162
3.403
LYS163
3.758
VAL164
3.044
CYS181
3.786
THR182
2.777
GLY183
3.240
TRP185
3.197
LEU189
3.795
GLY198
4.574
GLY200
4.277
GLN201
4.430
ILE202
3.557
TYR228
3.802
GLY281
3.662
PHE282
4.500
ARG283
3.848
PRO284
3.704
HIS311
4.376
GLY312
3.253
GLY313
3.061
TYR314
3.387
GLY315
3.365
LEU316
3.096
THR317
2.762
|
|||||
| PDB ID: 2E48 Crystal Structure of Human D-Amino Acid Oxidase: Substrate-Free Holoenzyme | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [7] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKKLS340
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:52 or .A:162 or .A:163 or .A:164 or .A:181 or .A:182 or .A:183 or .A:184 or .A:185 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:230 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.961
GLY7
3.151
ALA8
3.652
GLY9
3.480
VAL10
3.333
ILE11
3.398
TYR35
4.176
ALA36
3.535
ASP37
2.972
ARG38
2.385
PHE39
4.385
THR43
3.730
THR44
3.299
THR45
2.765
VAL47
4.019
ALA48
3.163
ALA49
3.855
GLY50
3.274
LEU51
2.891
TRP52
4.838
ARG162
3.262
LYS163
3.767
VAL164
2.885
CYS181
4.084
THR182
3.390
GLY183
3.317
VAL184
4.284
TRP185
3.792
LEU189
3.675
GLY198
4.730
GLY200
4.343
GLN201
4.619
ILE202
3.658
TYR228
3.791
ILE230
4.352
GLY281
3.725
PHE282
4.118
ARG283
3.817
PRO284
3.373
HIS311
3.856
GLY312
2.550
GLY313
3.369
TYR314
3.294
GLY315
3.452
LEU316
2.983
THR317
2.814
|
|||||
| PDB ID: 2E49 Crystal Structure of Human D-Amino Acid Oxidase in Complex with Imino-Serine | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [7] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKKLS340
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:162 or .A:163 or .A:164 or .A:165 or .A:181 or .A:182 or .A:183 or .A:184 or .A:185 or .A:189 or .A:200 or .A:201 or .A:202 or .A:228 or .A:230 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
4.289
GLY7
3.020
ALA8
3.934
GLY9
3.241
VAL10
3.120
ILE11
3.448
TYR35
4.205
ALA36
3.419
ASP37
2.943
ARG38
2.214
PHE39
4.260
THR43
3.439
THR44
3.341
THR45
3.177
VAL47
3.509
ALA48
2.985
ALA49
3.849
GLY50
3.179
LEU51
3.081
ARG162
3.034
LYS163
3.627
VAL164
2.744
GLU165
4.907
CYS181
4.081
THR182
3.178
GLY183
3.894
VAL184
4.415
TRP185
3.929
LEU189
3.270
GLY200
3.817
GLN201
4.218
ILE202
3.584
TYR228
3.999
ILE230
4.174
GLY281
3.461
PHE282
3.822
ARG283
3.771
PRO284
3.743
HIS311
3.881
GLY312
2.691
GLY313
3.093
TYR314
3.584
GLY315
3.351
LEU316
3.115
THR317
3.095
|
|||||
| PDB ID: 3G3E Crystal structure of human D-amino acid oxidase in complex with hydroxyquinolin-2(1H) | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [8] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKKLS340
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:35 or .A:36 or .A:37 or .A:38 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:52 or .A:162 or .A:163 or .A:164 or .A:181 or .A:182 or .A:183 or .A:185 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:230 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.679
GLY7
3.353
ALA8
3.090
GLY9
3.474
VAL10
3.458
ILE11
3.213
GLY12
4.193
TYR35
3.998
ALA36
3.378
ASP37
3.038
ARG38
2.703
THR43
3.614
THR44
2.930
THR45
2.403
VAL47
4.098
ALA48
3.384
ALA49
3.737
GLY50
3.170
LEU51
2.993
TRP52
4.966
ARG162
3.135
LYS163
3.671
VAL164
2.884
CYS181
3.675
THR182
3.400
GLY183
3.699
TRP185
3.320
LEU189
3.864
GLY198
4.842
GLY200
4.288
GLN201
4.614
ILE202
3.837
TYR228
3.868
ILE230
4.428
GLY281
3.825
PHE282
4.178
ARG283
3.654
PRO284
4.152
HIS311
3.718
GLY312
3.012
GLY313
3.400
TYR314
3.476
GLY315
3.108
LEU316
3.194
THR317
2.793
|
|||||
| PDB ID: 5ZJ9 human D-amino acid oxidase complexed with 5-chlorothiophene-3-carboxylic acid | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [9] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKKLS340
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:35 or .A:36 or .A:37 or .A:38 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:162 or .A:163 or .A:164 or .A:181 or .A:182 or .A:183 or .A:185 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:230 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.671
GLY7
3.225
ALA8
2.958
GLY9
3.374
VAL10
3.261
ILE11
2.983
GLY12
4.188
TYR35
3.989
ALA36
3.371
ASP37
2.900
ARG38
2.769
THR43
3.674
THR44
2.994
THR45
2.624
VAL47
3.920
ALA48
3.407
ALA49
3.942
GLY50
3.494
LEU51
2.940
ARG162
3.156
LYS163
3.728
VAL164
2.859
CYS181
3.479
THR182
3.251
GLY183
3.600
TRP185
3.388
LEU189
4.215
GLY198
4.897
GLY200
4.252
GLN201
4.459
ILE202
3.364
TYR228
4.132
ILE230
4.538
GLY281
3.616
PHE282
3.951
ARG283
3.577
PRO284
4.126
HIS311
4.170
GLY312
2.649
GLY313
3.401
TYR314
3.351
GLY315
3.119
LEU316
3.058
THR317
2.881
|
|||||
| PDB ID: 5ZJA human D-amino acid oxidase complexed with 5-chlorothiophene-2-carboxylic acid | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [9] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDPE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGP300 SNTEVIHNYG 310 HGGYGLTIHW320 GCALEAAKLF330 GRILEEKKLS340
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:35 or .A:36 or .A:37 or .A:38 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:52 or .A:162 or .A:163 or .A:164 or .A:181 or .A:182 or .A:183 or .A:185 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:230 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.602
GLY7
3.171
ALA8
2.920
GLY9
3.143
VAL10
3.062
ILE11
3.111
GLY12
4.210
TYR35
3.842
ALA36
3.385
ASP37
2.685
ARG38
2.797
THR43
3.495
THR44
2.967
THR45
2.867
VAL47
3.791
ALA48
3.239
ALA49
3.870
GLY50
3.348
LEU51
2.712
TRP52
4.950
ARG162
3.095
LYS163
3.608
VAL164
2.741
CYS181
3.602
THR182
2.680
GLY183
4.068
TRP185
3.137
LEU189
4.271
GLY198
4.882
GLY200
4.474
GLN201
4.737
ILE202
3.927
TYR228
4.353
ILE230
4.720
GLY281
3.804
PHE282
4.057
ARG283
3.463
PRO284
3.967
HIS311
3.964
GLY312
2.489
GLY313
3.370
TYR314
3.301
GLY315
2.926
LEU316
3.005
THR317
2.876
|
|||||
| PDB ID: 6KBP Crystal structure of human D-amino acid oxidase mutant (P219L) complexed with benzoate | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | Yes | [10] |
| PDB Sequence |
MRVVVIGAGV
10 IGLSTALCIH20 ERYHSVLQPL30 DIKVYADRFT40 PLTTTDVAAG50 LWQPYLSDPN 60 NPQEADWSQQ70 TFDYLLSHVH80 SPNAENLGLF90 LISGYNLFHE100 AIPDPSWKDT 110 VLGFRKLTPR120 ELDMFPDYGY130 GWFHTSLILE140 GKNYLQWLTE150 RLTERGVKFF 160 QRKVESFEEV170 AREGADVIVN180 CTGVWAGALQ190 RDPLLQPGRG200 QIMKVDAPWM 210 KHFILTHDLE220 RGIYNSPYII230 PGTQTVTLGG240 IFQLGNWSEL250 NNIQDHNTIW 260 EGCCRLEPTL270 KNARIIGERT280 GFRPVRPQIR290 LEREQLRTGN302 TEVIHNYGHG 312 GYGLTIHWGC322 ALEAAKLFGR332 ILEEKK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:43 or .A:44 or .A:45 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:162 or .A:163 or .A:164 or .A:181 or .A:182 or .A:183 or .A:185 or .A:189 or .A:198 or .A:200 or .A:201 or .A:202 or .A:228 or .A:230 or .A:281 or .A:282 or .A:283 or .A:284 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE6
3.636
GLY7
3.346
ALA8
3.027
GLY9
3.195
VAL10
3.193
ILE11
3.077
GLY12
4.314
TYR35
4.035
ALA36
3.501
ASP37
2.852
ARG38
2.732
PHE39
4.995
THR43
3.407
THR44
2.897
THR45
2.737
VAL47
3.857
ALA48
3.263
ALA49
3.946
GLY50
3.207
LEU51
2.950
ARG162
3.132
LYS163
3.678
VAL164
2.808
CYS181
3.413
THR182
3.214
GLY183
3.590
TRP185
3.320
LEU189
4.124
GLY198
4.684
GLY200
4.164
GLN201
4.427
ILE202
4.148
TYR228
3.917
ILE230
4.719
GLY281
3.805
PHE282
4.126
ARG283
3.495
PRO284
3.817
HIS311
3.705
GLY312
2.564
GLY313
3.587
TYR314
3.231
GLY315
3.102
LEU316
3.297
THR317
2.766
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schr?dinger Computational Platform. J Med Chem. 2022 May 12;65(9):6775-6802. | ||||
| REF 2 | Structural, kinetic, and pharmacodynamic mechanisms of D-amino acid oxidase inhibition by small molecules. J Med Chem. 2013 May 9;56(9):3710-24. | ||||
| REF 3 | Novel human D-amino acid oxidase inhibitors stabilize an active-site lid-open conformation. Biosci Rep. 2014 Aug 11;34(4):e00133. | ||||
| REF 4 | The discovery of fused pyrrole carboxylic acids as novel, potent D-amino acid oxidase (DAO) inhibitors. Bioorg Med Chem Lett. 2008 Jun 1;18(11):3386-91. | ||||
| REF 5 | Crystal structure of human D-amino acid oxidase: context-dependent variability of the backbone conformation of the VAAGL hydrophobic stretch located at the si-face of the flavin ring. Protein Sci. 2006 Dec;15(12):2708-17. | ||||
| REF 6 | 4-Hydroxypyridazin-3(2H)-one derivatives as novel D-amino acid oxidase inhibitors. J Med Chem. 2013 May 9;56(9):3582-92. | ||||
| REF 7 | Structural basis of D-DOPA oxidation by D-amino acid oxidase: alternative pathway for dopamine biosynthesis. Biochem Biophys Res Commun. 2007 Apr 6;355(2):385-91. | ||||
| REF 8 | Discovery, SAR, and pharmacokinetics of a novel 3-hydroxyquinolin-2(1H)-one series of potent D-amino acid oxidase (DAAO) inhibitors. J Med Chem. 2009 Jun 11;52(11):3576-85. | ||||
| REF 9 | Structural basis for potent inhibition of d-amino acid oxidase by thiophene carboxylic acids. Eur J Med Chem. 2018 Nov 5;159:23-34. | ||||
| REF 10 | Crystal structure of human D-amino acid oxidase mutant (P219L) complexed with benzoate | ||||
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