Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T83011 | Target Info | |||
| Target Name | Monoamine oxidase type B (MAO-B) | ||||
| Synonyms | MAO-B; Amine oxidase [flavin-containing] B | ||||
| Target Type | Successful Target | ||||
| Gene Name | MAOB | ||||
| 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: 1S3E Crystal structure of MAOB in complex with 6-hydroxy-N-propargyl-1(R)-aminoindan | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [1] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
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|
|
VAL10
3.748
GLY11
3.218
GLY12
3.853
GLY13
3.430
ILE14
3.349
SER15
2.900
GLY16
4.228
LEU33
3.312
GLU34
2.622
ALA35
3.156
ARG36
3.002
GLY40
3.618
GLY41
3.275
ARG42
2.783
THR43
3.640
LEU56
3.940
GLY57
3.754
GLY58
3.328
SER59
3.237
TYR60
2.865
GLN65
4.976
ARG233
3.773
PRO234
3.597
VAL235
2.883
ALA263
3.477
ILE264
3.394
PRO265
3.965
LEU268
3.924
LYS271
4.582
ILE272
4.426
VAL294
3.978
LYS296
4.177
PHE343
4.216
TRP388
3.541
TYR393
3.425
SER394
4.807
GLY396
4.862
CYS397
1.629
TYR398
3.367
GLY425
3.287
THR426
2.819
GLU427
4.573
GLY434
2.813
TYR435
3.291
MET436
2.789
GLU437
4.497
ALA439
3.628
|
|||||
| PDB ID: 2V5Z Structure of human MAO B in complex with the selective inhibitor safinamide | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [2] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
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|
|
VAL10
3.770
GLY11
3.212
GLY12
3.915
GLY13
3.437
ILE14
3.406
SER15
2.894
GLY16
4.229
LEU33
3.349
GLU34
2.623
ALA35
3.159
ARG36
2.959
GLY40
3.565
GLY41
3.283
ARG42
2.722
THR43
3.700
LEU56
3.769
GLY57
3.669
GLY58
3.313
SER59
3.295
TYR60
2.842
GLN65
4.912
ARG233
3.741
PRO234
3.631
VAL235
2.870
ALA263
3.493
ILE264
3.451
PRO265
3.969
LEU268
3.976
LYS271
4.552
ILE272
4.461
VAL294
4.395
LYS296
3.856
PHE343
4.215
TRP388
3.387
TYR393
3.426
SER394
4.736
CYS397
2.306
TYR398
3.353
GLY425
3.249
THR426
2.742
GLU427
4.636
GLY434
2.760
TYR435
3.343
MET436
2.777
GLU437
4.483
ALA439
3.626
|
|||||
| PDB ID: 2XFN Human monoamine oxidase B in complex with 2-(2-benzofuranyl)-2- imidazoline | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [3] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
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|
|
VAL10
3.664
GLY11
3.242
GLY12
3.829
GLY13
3.397
ILE14
3.334
SER15
2.860
GLY16
4.198
LEU33
3.353
GLU34
2.644
ALA35
3.058
ARG36
2.946
ARG38
4.975
GLY40
3.592
GLY41
3.232
ARG42
2.791
THR43
3.651
LEU56
3.909
GLY57
3.734
GLY58
3.322
SER59
3.116
TYR60
2.762
GLN65
4.948
ARG233
3.767
PRO234
3.626
VAL235
2.873
ALA263
3.428
ILE264
3.377
PRO265
3.961
LEU268
3.982
LYS271
4.592
ILE272
4.357
VAL294
4.023
LYS296
4.030
PHE343
4.293
TRP388
3.485
TYR393
3.434
SER394
4.790
GLY396
4.894
CYS397
1.681
TYR398
3.370
GLY425
3.281
THR426
2.789
GLU427
4.403
GLY434
2.796
TYR435
3.290
MET436
2.733
GLU437
4.457
ALA439
3.578
|
|||||
| PDB ID: 6FW0 Crystal structure of human monoamine oxidase B (MAO B) in complex with chlorophenyl-chromone-carboxamide | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [4] |
| PDB Sequence |
SNKCDVVVVG
11 GGISGMAAAK21 LLHDSGLNVV31 VLEARDRVGG41 RTYTLRNQKV51 KYVDLGGSYV 61 GPTQNRILRL71 AKELGLETYK81 VNEVERLIHH91 VKGKSYPFRG101 PFPPVWNPIT 111 YLDHNNFWRT121 MDDMGREIPS131 DAPWKAPLAE141 EWDNMTMKEL151 LDKLCWTESA 161 KQLATLFVNL171 CVTAETHEVS181 ALWFLWYVKQ191 CGGTTRIIST201 TNGGQERKFV 211 GGSGQVSERI221 MDLLGDRVKL231 ERPVIYIDQT241 RENVLVETLN251 HEMYEAKYVI 261 SAIPPTLGMK271 IHFNPPLPMM281 RNQMITRVPL291 GSVIKCIVYY301 KEPFWRKKDY 311 CGTMIIDGEE321 APVAYTLDDT331 KPEGNYAAIM341 GFILAHKARK351 LARLTKEERL 361 KKLCELYAKV371 LGSLEALEPV381 HYEEKNWCEE391 QYSGGCYTTY401 FPPGILTQYG 411 RVLRQPVDRI421 YFAGTETATH431 WSGYMEGAVE441 AGERAAREIL451 HAMGKIPEDE 461 IWQSEPESVD471 VPAQPITTTF481 LERHLPSVPG491 LLRLIGLTTI501 |
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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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.703
GLY11
3.226
GLY12
3.865
GLY13
3.372
ILE14
3.269
SER15
2.835
GLY16
4.233
LEU33
3.283
GLU34
2.559
ALA35
3.119
ARG36
2.879
ARG38
4.935
GLY40
3.599
GLY41
3.246
ARG42
2.824
THR43
3.637
LEU56
3.888
GLY57
3.768
GLY58
3.365
SER59
3.211
TYR60
2.830
GLN65
4.946
ARG233
3.709
PRO234
3.615
VAL235
2.889
ALA263
3.442
ILE264
3.436
PRO265
3.870
LEU268
3.947
LYS271
4.544
ILE272
4.363
VAL294
4.062
LYS296
4.072
PHE343
4.310
TRP388
3.493
TYR393
3.404
SER394
4.790
GLY396
4.886
CYS397
1.679
TYR398
3.338
GLY425
3.317
THR426
2.814
GLU427
4.416
GLY434
2.727
TYR435
3.325
MET436
2.834
GLU437
4.584
ALA439
3.638
|
|||||
| PDB ID: 1S3B Crystal structure of MAOB in complex with N-methyl-N-propargyl-1(R)-aminoindan | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [1] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
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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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.711
GLY11
3.209
GLY12
3.844
GLY13
3.393
ILE14
3.275
SER15
2.827
GLY16
4.186
LEU33
3.278
GLU34
2.592
ALA35
3.117
ARG36
2.985
GLY40
3.575
GLY41
3.241
ARG42
2.761
THR43
3.594
LEU56
3.860
GLY57
3.690
GLY58
3.323
SER59
3.275
TYR60
2.830
GLN65
4.917
ARG233
3.718
PRO234
3.566
VAL235
2.851
ALA263
3.421
ILE264
3.338
PRO265
3.956
LEU268
3.838
LYS271
4.492
ILE272
4.324
VAL294
3.990
LYS296
4.129
PHE343
4.128
TRP388
3.487
TYR393
3.400
SER394
4.771
GLY396
4.846
CYS397
1.630
TYR398
3.374
GLY425
3.308
THR426
2.806
GLU427
4.524
GLY434
2.733
TYR435
3.290
MET436
2.798
GLU437
4.471
ALA439
3.595
|
|||||
| PDB ID: 2XFP Isatin-inhibited human monoamine oxidase B in complex with 2-(2- benzofuranyl)-2-imidazoline | ||||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [3] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
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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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.663
GLY11
3.248
GLY12
3.780
GLY13
3.389
ILE14
3.295
SER15
2.856
GLY16
4.158
LEU33
3.306
GLU34
2.628
ALA35
3.033
ARG36
2.914
ARG38
4.931
GLY40
3.641
GLY41
3.232
ARG42
2.838
THR43
3.622
LEU56
3.911
GLY57
3.698
GLY58
3.273
SER59
3.051
TYR60
2.720
GLN65
4.964
ARG233
3.750
PRO234
3.594
VAL235
2.922
ALA263
3.466
ILE264
3.368
PRO265
3.856
LEU268
3.954
LYS271
4.537
ILE272
4.370
VAL294
3.966
LYS296
4.024
PHE343
4.300
TRP388
3.424
TYR393
3.348
SER394
4.770
GLY396
4.948
CYS397
1.800
TYR398
3.418
GLY425
3.309
THR426
2.759
GLU427
4.469
GLY434
2.794
TYR435
3.338
MET436
2.821
GLU437
4.518
ALA439
3.610
|
|||||
| PDB ID: 1OJA HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH ISATIN | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [5] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
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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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.739
GLY11
3.191
GLY12
3.853
GLY13
3.365
ILE14
3.306
SER15
2.838
GLY16
4.180
LEU33
3.296
GLU34
2.574
ALA35
3.109
ARG36
2.974
ARG38
4.965
GLY40
3.625
GLY41
3.201
ARG42
2.793
THR43
3.566
LEU56
3.997
GLY57
3.713
GLY58
3.290
SER59
3.092
TYR60
2.740
GLN65
4.953
ARG233
3.712
PRO234
3.567
VAL235
2.877
ALA263
3.439
ILE264
3.373
PRO265
3.842
LEU268
3.917
LYS271
4.504
ILE272
4.285
VAL294
3.940
LYS296
4.085
PHE343
4.338
TRP388
3.483
TYR393
3.446
SER394
4.762
GLY396
4.850
CYS397
1.653
TYR398
3.433
GLY425
3.268
THR426
2.761
GLU427
4.462
GLY434
2.820
TYR435
3.263
MET436
2.747
GLU437
4.446
ALA439
3.594
|
|||||
| PDB ID: 2C65 MAO inhibition by rasagiline analogues | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [6] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.735
GLY11
3.201
GLY12
3.837
GLY13
3.366
ILE14
3.317
SER15
2.836
GLY16
4.167
LEU33
3.265
GLU34
2.538
ALA35
3.122
ARG36
2.980
ARG38
4.967
GLY40
3.576
GLY41
3.244
ARG42
2.816
THR43
3.629
LEU56
3.911
GLY57
3.718
GLY58
3.374
SER59
3.262
TYR60
2.860
VAL61
4.984
GLN65
4.898
ARG233
3.728
PRO234
3.622
VAL235
2.862
ALA263
3.452
ILE264
3.404
PRO265
3.945
LEU268
3.865
LYS271
4.509
ILE272
4.361
VAL294
3.947
LYS296
4.107
PHE343
4.171
TRP388
3.510
TYR393
3.398
SER394
4.769
GLY396
4.846
CYS397
1.633
TYR398
3.330
GLY425
3.239
THR426
2.750
GLU427
4.516
GLY434
2.749
TYR435
3.271
MET436
2.822
GLU437
4.504
ALA439
3.588
|
|||||
| PDB ID: 2C67 MAO inhibition by rasagiline analogues | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [6] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.737
GLY11
3.190
GLY12
3.862
GLY13
3.350
ILE14
3.333
SER15
2.872
GLY16
4.170
LEU33
3.284
GLU34
2.564
ALA35
3.128
ARG36
2.958
ARG38
4.968
GLY40
3.568
GLY41
3.222
ARG42
2.789
THR43
3.657
LEU56
3.845
GLY57
3.746
GLY58
3.282
SER59
3.189
TYR60
2.757
GLN65
4.891
ARG233
3.715
PRO234
3.614
VAL235
2.864
ALA263
3.486
ILE264
3.457
PRO265
3.962
LEU268
3.879
LYS271
4.528
ILE272
4.398
VAL294
4.059
LYS296
4.062
PHE343
4.281
TRP388
3.508
TYR393
3.400
SER394
4.771
GLY396
4.866
CYS397
1.631
TYR398
3.387
GLY425
3.282
THR426
2.750
GLU427
4.557
GLY434
2.739
TYR435
3.278
MET436
2.791
GLU437
4.468
ALA439
3.601
|
|||||
| PDB ID: 2C75 Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [7] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGLMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.718
GLY11
3.203
GLY12
3.841
GLY13
3.372
ILE14
3.335
SER15
2.875
GLY16
4.142
LEU33
3.237
GLU34
2.586
ALA35
3.130
ARG36
2.946
ARG38
4.955
GLY40
3.591
GLY41
3.231
ARG42
2.795
THR43
3.599
LEU56
3.990
GLY57
3.750
GLY58
3.338
SER59
3.247
TYR60
2.809
VAL61
4.923
GLN65
4.946
ARG233
3.681
PRO234
3.593
VAL235
2.851
ALA263
3.477
ILE264
3.417
PRO265
3.935
LEU268
3.885
LYS271
4.529
ILE272
4.409
VAL294
3.927
LYS296
4.107
PHE343
4.146
TRP388
3.508
TYR393
3.376
SER394
4.768
GLY396
4.850
CYS397
1.632
TYR398
3.303
GLY425
3.266
THR426
2.753
GLU427
4.514
GLY434
2.723
LEU435
3.311
MET436
2.804
GLU437
4.518
ALA439
3.604
|
|||||
| PDB ID: 2C76 Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [7] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGWMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.762
GLY11
3.167
GLY12
3.839
GLY13
3.407
ILE14
3.303
SER15
2.874
GLY16
4.206
LEU33
3.250
GLU34
2.513
ALA35
3.139
ARG36
2.971
ARG38
4.981
GLY40
3.542
GLY41
3.228
ARG42
2.800
THR43
3.633
LEU56
3.956
GLY57
3.759
GLY58
3.363
SER59
3.246
TYR60
2.773
VAL61
4.901
GLN65
4.870
ARG233
3.745
PRO234
3.617
VAL235
2.871
ALA263
3.522
ILE264
3.478
PRO265
3.931
LEU268
3.899
LYS271
4.542
ILE272
4.423
VAL294
3.954
LYS296
4.132
PHE343
4.148
TRP388
3.538
TYR393
3.399
SER394
4.754
GLY396
4.856
CYS397
1.629
TYR398
3.330
GLY425
3.267
THR426
2.790
GLU427
4.581
GLY434
2.850
TRP435
3.348
MET436
2.791
GLU437
4.472
ALA439
3.629
|
|||||
| PDB ID: 2V61 Structure of human MAO B in complex with the selective inhibitor 7-(3- chlorobenzyloxy)-4-(methylamino)methyl-coumarin | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [2] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.736
GLY11
3.212
GLY12
3.902
GLY13
3.411
ILE14
3.373
SER15
2.885
GLY16
4.200
LEU33
3.289
GLU34
2.618
ALA35
3.090
ARG36
2.930
GLY40
3.581
GLY41
3.216
ARG42
2.789
THR43
3.681
LEU56
3.893
GLY57
3.746
GLY58
3.272
SER59
3.193
TYR60
2.828
GLN65
4.914
ARG233
3.750
PRO234
3.630
VAL235
2.848
ALA263
3.464
ILE264
3.437
PRO265
3.952
LEU268
3.899
LYS271
4.535
ILE272
4.407
VAL294
4.051
LYS296
4.073
PHE343
4.286
TRP388
3.492
TYR393
3.406
SER394
4.767
GLY396
4.870
CYS397
1.654
TYR398
3.383
GLY425
3.299
THR426
2.747
GLU427
4.479
GLY434
2.753
TYR435
3.306
MET436
2.767
GLU437
4.477
ALA439
3.633
|
|||||
| PDB ID: 4A7A Crystal structure of human monoamine oxidase B (MAO B) in complex with rosiglitazone | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [8] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.709
GLY11
3.228
GLY12
3.839
GLY13
3.366
ILE14
3.345
SER15
2.902
GLY16
4.239
LEU33
3.214
GLU34
2.641
ALA35
3.171
ARG36
2.904
ARG38
4.999
GLY40
3.616
GLY41
3.267
ARG42
2.786
THR43
3.698
LEU56
3.945
GLY57
3.794
GLY58
3.363
SER59
3.267
TYR60
2.871
GLN65
4.958
ARG233
3.750
PRO234
3.644
VAL235
2.894
ALA263
3.499
ILE264
3.411
PRO265
3.931
LEU268
3.976
LYS271
4.597
ILE272
4.434
VAL294
4.060
LYS296
4.089
PHE343
4.306
TRP388
3.549
TYR393
3.428
SER394
4.774
GLY396
4.836
CYS397
1.637
TYR398
3.425
GLY425
3.308
THR426
2.775
GLU427
4.480
GLY434
2.798
TYR435
3.373
MET436
2.798
GLU437
4.527
ALA439
3.578
|
|||||
| PDB ID: 6FWC Crystal structure of human monoamine oxidase B (MAO B) in complex with fluorophenyl-chromone-carboxamide | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [4] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.748
GLY11
3.202
GLY12
3.855
GLY13
3.340
ILE14
3.306
SER15
2.846
GLY16
4.196
LEU33
3.294
GLU34
2.570
ALA35
3.148
ARG36
2.960
ARG38
4.955
GLY40
3.593
GLY41
3.214
ARG42
2.807
THR43
3.675
LEU56
3.876
GLY57
3.758
GLY58
3.345
SER59
3.254
TYR60
2.853
GLN65
4.941
ARG233
3.727
PRO234
3.646
VAL235
2.915
ALA263
3.470
ILE264
3.406
PRO265
3.903
LEU268
3.999
LYS271
4.533
ILE272
4.419
VAL294
4.048
LYS296
4.086
PHE343
4.350
TRP388
3.513
TYR393
3.406
SER394
4.813
GLY396
4.911
CYS397
1.691
TYR398
3.353
GLY425
3.303
THR426
2.809
GLU427
4.515
GLY434
2.704
TYR435
3.253
MET436
2.815
GLU437
4.543
ALA439
3.608
|
|||||
| PDB ID: 6RKP Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 84 | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [9] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.793
GLY11
3.202
GLY12
3.796
GLY13
3.413
ILE14
3.256
SER15
2.882
GLY16
4.309
LEU33
3.323
GLU34
2.487
ALA35
3.206
ARG36
2.965
ARG38
4.966
GLY40
3.645
GLY41
3.275
ARG42
2.847
THR43
3.610
LEU56
3.925
GLY57
3.713
GLY58
3.304
SER59
3.196
TYR60
2.920
GLN65
4.927
ARG233
3.782
PRO234
3.608
VAL235
2.937
ALA263
3.512
ILE264
3.413
PRO265
3.885
LEU268
3.916
LYS271
4.629
ILE272
4.407
VAL294
4.165
LYS296
4.160
PHE343
4.269
TRP388
3.565
TYR393
3.456
SER394
4.837
GLY396
4.843
CYS397
1.672
TYR398
3.391
GLY425
3.312
THR426
2.861
GLU427
4.459
GLY434
2.821
TYR435
3.378
MET436
2.935
GLU437
4.626
ALA439
3.674
|
|||||
| PDB ID: 2BK3 Human Monoamine Oxidase B in complex with Farnesol | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [10] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.746
GLY11
3.184
GLY12
3.924
GLY13
3.418
ILE14
3.379
SER15
2.825
GLY16
4.243
LEU33
3.246
GLU34
2.623
ALA35
3.202
ARG36
2.939
ARG38
4.990
GLY40
3.545
GLY41
3.260
ARG42
2.732
THR43
3.630
LEU56
3.854
GLY57
3.754
GLY58
3.322
SER59
3.207
TYR60
2.811
GLN65
4.967
ARG233
3.837
PRO234
3.619
VAL235
2.895
ALA263
3.455
ILE264
3.455
PRO265
3.877
LEU268
4.044
LYS271
4.538
ILE272
4.384
VAL294
4.180
LYS296
4.022
PHE343
4.338
TRP388
3.478
TYR393
3.459
SER394
4.766
CYS397
1.980
TYR398
3.340
GLY425
3.233
THR426
2.815
GLU427
4.542
GLY434
2.904
TYR435
3.381
MET436
2.840
GLU437
4.547
ALA439
3.577
|
|||||
| PDB ID: 3PO7 Human monoamine oxidase B in complex with zonisamide | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [11] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.713
GLY11
3.203
GLY12
3.824
GLY13
3.394
ILE14
3.371
SER15
2.885
GLY16
4.247
LEU33
3.297
GLU34
2.581
ALA35
3.154
ARG36
2.909
ARG38
4.981
GLY40
3.602
GLY41
3.249
ARG42
2.757
THR43
3.599
LEU56
3.913
GLY57
3.710
GLY58
3.324
SER59
3.224
TYR60
2.780
VAL61
4.959
GLN65
4.832
ARG233
3.736
PRO234
3.585
VAL235
2.838
ALA263
3.417
ILE264
3.386
PRO265
3.876
LEU268
3.916
LYS271
4.532
ILE272
4.331
VAL294
4.021
LYS296
4.104
PHE343
4.236
TRP388
3.477
TYR393
3.441
SER394
4.688
CYS397
1.963
TYR398
3.316
GLY425
3.282
THR426
2.762
GLU427
4.501
GLY434
2.810
TYR435
3.337
MET436
2.793
GLU437
4.479
ALA439
3.530
|
|||||
| PDB ID: 4CRT Crystal structure of human monoamine oxidase B in complex with the multi-target inhibitor ASS234 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [12] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.647
GLY11
3.179
GLY12
3.792
GLY13
3.364
ILE14
3.297
SER15
2.842
GLY16
4.243
LEU33
3.329
GLU34
2.626
ALA35
3.048
ARG36
2.812
GLY40
3.575
GLY41
3.250
ARG42
2.799
THR43
3.551
LEU56
3.920
GLY57
3.786
GLY58
3.311
SER59
3.189
TYR60
2.820
GLN65
4.880
ARG233
3.722
PRO234
3.583
VAL235
2.831
ALA263
3.395
ILE264
3.502
PRO265
3.770
LEU268
3.974
LYS271
4.515
ILE272
4.309
VAL294
3.994
LYS296
4.157
PHE343
4.253
TRP388
3.514
TYR393
3.440
SER394
4.674
GLY396
4.868
CYS397
1.655
TYR398
3.307
GLY425
3.302
THR426
2.734
GLU427
4.498
GLY434
2.883
TYR435
3.303
MET436
2.890
GLU437
4.535
ALA439
3.584
|
|||||
| PDB ID: 6FVZ Crystal structure of human monoamine oxidase B (MAO B) in complex with dimethylphenyl-chromone-carboxamide | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [4] |
| PDB Sequence |
SNKCDVVVVG
11 GGISGMAAAK21 LLHDSGLNVV31 VLEARDRVGG41 RTYTLRNQKV51 KYVDLGGSYV 61 GPTQNRILRL71 AKELGLETYK81 VNEVERLIHH91 VKGKSYPFRG101 PFPPVWNPIT 111 YLDHNNFWRT121 MDDMGREIPS131 DAPWKAPLAE141 EWDNMTMKEL151 LDKLCWTESA 161 KQLATLFVNL171 CVTAETHEVS181 ALWFLWYVKQ191 CGGTTRIIST201 TNGGQERKFV 211 GGSGQVSERI221 MDLLGDRVKL231 ERPVIYIDQT241 RENVLVETLN251 HEMYEAKYVI 261 SAIPPTLGMK271 IHFNPPLPMM281 RNQMITRVPL291 GSVIKCIVYY301 KEPFWRKKDY 311 CGTMIIDGEE321 APVAYTLDDT331 KPEGNYAAIM341 GFILAHKARK351 LARLTKEERL 361 KKLCELYAKV371 LGSLEALEPV381 HYEEKNWCEE391 QYSGGCYTTY401 FPPGILTQYG 411 RVLRQPVDRI421 YFAGTETATH431 WSGYMEGAVE441 AGERAAREIL451 HAMGKIPEDE 461 IWQSEPESVD471 VPAQPITTTF481 LERHLPSVPG491 LLRLIGLTTI501 |
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.716
GLY11
3.193
GLY12
3.855
GLY13
3.373
ILE14
3.238
SER15
2.852
GLY16
4.198
LEU33
3.328
GLU34
2.607
ALA35
3.138
ARG36
2.901
ARG38
4.892
GLY40
3.590
GLY41
3.260
ARG42
2.800
THR43
3.666
LEU56
3.955
GLY57
3.801
GLY58
3.383
SER59
3.310
TYR60
2.880
GLN65
4.940
ARG233
3.689
PRO234
3.596
VAL235
2.903
ALA263
3.491
ILE264
3.474
PRO265
3.880
LEU268
4.052
LYS271
4.597
ILE272
4.449
VAL294
4.107
LYS296
4.092
PHE343
4.363
TRP388
3.570
TYR393
3.509
SER394
4.799
GLY396
4.859
CYS397
1.668
TYR398
3.340
GLY425
3.313
THR426
2.839
GLU427
4.506
GLY434
2.755
TYR435
3.299
MET436
2.845
GLU437
4.578
ALA439
3.661
|
|||||
| PDB ID: 2BK5 Human Monoamine Oxidase B: I199F mutant in complex with isatin | ||||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | Yes | [10] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIFSTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.719
GLY11
3.210
GLY12
3.852
GLY13
3.364
ILE14
3.346
SER15
2.852
GLY16
4.187
LEU33
3.244
GLU34
2.544
ALA35
3.125
ARG36
2.944
ARG38
4.957
GLY40
3.578
GLY41
3.241
ARG42
2.765
THR43
3.519
LEU56
3.903
GLY57
3.745
GLY58
3.309
SER59
3.261
TYR60
2.790
VAL61
4.977
GLN65
4.890
ARG233
3.745
PRO234
3.604
VAL235
2.840
ALA263
3.431
ILE264
3.405
PRO265
3.873
LEU268
3.875
LYS271
4.522
ILE272
4.385
VAL294
3.958
LYS296
4.084
PHE343
4.305
TRP388
3.494
TYR393
3.440
SER394
4.781
GLY396
4.829
CYS397
1.632
TYR398
3.313
GLY425
3.274
THR426
2.791
GLU427
4.535
GLY434
2.787
TYR435
3.255
MET436
2.795
GLU437
4.448
ALA439
3.586
|
|||||
| PDB ID: 4A79 Crystal structure of human monoamine oxidase B (MAO B) in complex with pioglitazone | ||||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [8] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.703
GLY11
3.185
GLY12
3.849
GLY13
3.438
ILE14
3.375
SER15
2.948
GLY16
4.310
LEU33
3.220
GLU34
2.626
ALA35
3.144
ARG36
2.872
GLY40
3.650
GLY41
3.287
ARG42
2.735
THR43
3.655
LEU56
3.891
GLY57
3.783
GLY58
3.335
SER59
3.227
TYR60
2.840
GLN65
4.968
ARG233
3.765
PRO234
3.625
VAL235
2.867
ALA263
3.510
ILE264
3.459
PRO265
3.844
LEU268
3.982
LYS271
4.614
ILE272
4.450
VAL294
4.052
LYS296
4.044
PHE343
4.350
TRP388
3.525
TYR393
3.458
SER394
4.774
GLY396
4.886
CYS397
1.640
TYR398
3.433
GLY425
3.323
THR426
2.811
GLU427
4.516
GLY434
2.773
TYR435
3.324
MET436
2.849
GLU437
4.519
ALA439
3.627
|
|||||
| PDB ID: 2BK4 Human Monoamine Oxidase B: I199F mutant in complex with rasagiline | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [10] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIFSTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.749
GLY11
3.210
GLY12
3.888
GLY13
3.414
ILE14
3.353
SER15
2.897
GLY16
4.237
LEU33
3.280
GLU34
2.611
ALA35
3.129
ARG36
2.941
GLY40
3.616
GLY41
3.292
ARG42
2.794
THR43
3.683
LEU56
3.927
GLY57
3.710
GLY58
3.321
SER59
3.237
TYR60
2.877
GLN65
4.896
ARG233
3.750
PRO234
3.582
VAL235
2.819
ALA263
3.492
ILE264
3.483
PRO265
3.938
LEU268
3.890
LYS271
4.544
ILE272
4.466
VAL294
3.982
LYS296
4.155
PHE343
4.209
TRP388
3.541
TYR393
3.451
SER394
4.758
GLY396
4.891
CYS397
1.639
TYR398
3.353
GLY425
3.311
THR426
2.837
GLU427
4.630
GLY434
2.723
TYR435
3.252
MET436
2.821
GLU437
4.518
ALA439
3.573
|
|||||
| PDB ID: 2C72 Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [7] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGHMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.678
GLY11
3.162
GLY12
3.796
GLY13
3.356
ILE14
3.306
SER15
2.921
GLY16
4.170
LEU33
3.251
GLU34
2.559
ALA35
3.153
ARG36
2.958
ARG38
4.906
GLY40
3.583
GLY41
3.269
ARG42
2.784
THR43
3.586
LEU56
3.914
GLY57
3.754
GLY58
3.332
SER59
3.250
TYR60
2.740
VAL61
4.930
GLN65
4.844
ARG233
3.761
PRO234
3.621
VAL235
2.875
ALA263
3.472
ILE264
3.468
PRO265
3.788
LEU268
3.999
LYS271
4.512
ILE272
4.412
VAL294
4.020
LYS296
4.037
PHE343
4.227
TRP388
3.557
TYR393
3.392
SER394
4.730
GLY396
4.837
CYS397
1.628
TYR398
3.332
GLY425
3.235
THR426
2.780
GLU427
4.576
GLY434
2.863
HIS435
3.306
MET436
2.764
GLU437
4.475
ALA439
3.568
|
|||||
| PDB ID: 2V60 Structure of human MAO B in complex with the selective inhibitor 7-(3- chlorobenzyloxy)-4-carboxaldehyde-coumarin | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [2] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.697
GLY11
3.208
GLY12
3.654
GLY13
3.358
ILE14
3.215
SER15
2.721
GLY16
4.190
LEU33
3.211
GLU34
2.442
ALA35
3.104
ARG36
2.967
ARG38
4.948
GLY40
3.632
GLY41
3.269
ARG42
2.709
THR43
3.617
LEU56
3.997
GLY57
3.713
GLY58
3.332
SER59
3.222
TYR60
2.833
GLN65
4.916
ARG233
3.758
PRO234
3.606
VAL235
2.875
ALA263
3.411
ILE264
3.421
PRO265
3.908
LEU268
3.919
LYS271
4.577
ILE272
4.409
VAL294
4.045
LYS296
4.085
PHE343
4.274
TRP388
3.605
TYR393
3.508
SER394
4.717
GLY396
4.868
CYS397
1.674
TYR398
3.358
GLY425
3.251
THR426
2.898
GLU427
4.545
GLY434
2.786
TYR435
3.279
MET436
2.817
GLU437
4.386
ALA439
3.622
|
|||||
| PDB ID: 2C70 Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins | ||||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | No | [7] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.739
GLY11
3.224
GLY12
3.838
GLY13
3.385
ILE14
3.319
SER15
2.847
GLY16
4.145
LEU33
3.265
GLU34
2.545
ALA35
3.127
ARG36
2.915
ARG38
4.914
GLY40
3.588
GLY41
3.275
ARG42
2.803
THR43
3.749
LEU56
4.018
GLY57
3.802
GLY58
3.356
SER59
3.284
TYR60
2.792
VAL61
5.000
GLN65
4.867
ARG233
3.690
PRO234
3.541
VAL235
2.820
ALA263
3.453
ILE264
3.513
PRO265
3.836
LEU268
4.027
LYS271
4.538
ILE272
4.475
VAL294
3.950
LYS296
4.082
PHE343
4.276
TRP388
3.514
TYR393
3.403
SER394
4.790
GLY396
4.823
CYS397
1.637
TYR398
3.335
GLY425
3.232
THR426
2.770
GLU427
4.599
GLY434
2.784
TYR435
3.192
MET436
2.805
GLU437
4.469
ALA439
3.619
|
|||||
| PDB ID: 1S2Q Crystal structure of MAOB in complex with N-propargyl-1(R)-aminoindan (Rasagiline) | ||||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [1] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.727
GLY11
3.273
GLY12
3.866
GLY13
3.461
ILE14
3.335
SER15
2.926
GLY16
4.248
LEU33
3.336
GLU34
2.577
ALA35
3.188
ARG36
3.107
GLY40
3.641
GLY41
3.289
ARG42
2.771
THR43
3.571
LEU56
3.956
GLY57
3.712
GLY58
3.434
SER59
3.364
TYR60
2.836
GLN65
4.881
ARG233
3.747
PRO234
3.600
VAL235
2.875
ALA263
3.501
ILE264
3.455
PRO265
4.044
LEU268
3.982
LYS271
4.639
ILE272
4.469
VAL294
4.177
LYS296
4.180
PHE343
4.365
TRP388
3.638
TYR393
3.506
SER394
4.782
GLY396
4.873
CYS397
1.620
TYR398
3.430
GLY425
3.348
THR426
2.835
GLU427
4.736
GLY434
2.781
TYR435
3.285
MET436
2.801
GLU437
4.493
ALA439
3.716
|
|||||
| PDB ID: 7B0Z Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [13] |
| PDB Sequence |
SNKCDVVVVG
11 GGISGMAAAK21 LLHDSGLNVV31 VLEARDRVGG41 RTYTLRNQKV51 KYVDLGGSYV 61 GPTQNRILRL71 AKELGLETYK81 VNEVERLIHH91 VKGKSYPFRG101 PFPPVWNPIT 111 YLDHNNFWRT121 MDDMGREIPS131 DAPWKAPLAE141 EWDNMTMKEL151 LDKLCWTESA 161 KQLATLFVNL171 CVTAETHEVS181 ALWFLWYVKQ191 CGGTTRIIST201 TNGGQERKFV 211 GGSGQVSERI221 MDLLGDRVKL231 ERPVIYIDQT241 RENVLVETLN251 HEMYEAKYVI 261 SAIPPTLGMK271 IHFNPPLPMM281 RNQMITRVPL291 GSVIKCIVYY301 KEPFWRKKDY 311 CGTMIIDGEE321 APVAYTLDDT331 KPEGNYAAIM341 GFILAHKARK351 LARLTKEERL 361 KKLCELYAKV371 LGSLEALEPV381 HYEEKNWCEE391 QYSGGCYTTY401 FPPGILTQYG 411 RVLRQPVDRI421 YFAGTETATH431 WSGYMEGAVE441 AGERAAREIL451 HAMGKIPEDE 461 IWQSEPESVD471 VPAQPITTTF481 LERHLPSVPG491 LLRLIGLT
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.686
GLY11
3.159
GLY12
3.935
GLY13
3.343
ILE14
3.283
SER15
2.876
GLY16
4.225
LEU33
3.282
GLU34
2.547
ALA35
3.178
ARG36
2.923
ARG38
4.936
GLY40
3.632
GLY41
3.168
ARG42
2.822
THR43
3.627
LEU56
3.830
GLY57
3.673
GLY58
3.250
SER59
3.245
TYR60
2.786
GLN65
4.920
ARG233
3.802
PRO234
3.634
VAL235
2.840
ALA263
3.351
ILE264
3.425
PRO265
3.788
LEU268
4.012
LYS271
4.522
ILE272
4.349
VAL294
4.136
LYS296
4.071
PHE343
4.343
TRP388
3.642
TYR393
3.398
SER394
4.682
GLY396
4.821
CYS397
1.631
TYR398
3.469
GLY425
3.267
THR426
2.839
GLU427
4.436
GLY434
2.695
TYR435
3.288
MET436
2.898
GLU437
4.601
ALA439
3.633
|
|||||
| PDB ID: 7P4H Crystal Structure of Monoamine Oxidase B in complex with inhibitor (+)-2 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [14] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.778
GLY11
3.072
GLY12
3.796
GLY13
3.410
ILE14
3.159
SER15
2.872
GLY16
4.317
LEU33
3.222
GLU34
2.534
ALA35
3.197
ARG36
2.917
ARG38
4.970
GLY40
3.631
GLY41
3.225
ARG42
2.852
THR43
3.648
LEU56
3.950
GLY57
3.672
GLY58
3.326
SER59
3.319
TYR60
2.754
VAL61
4.979
GLN65
4.912
ARG233
3.783
PRO234
3.660
VAL235
2.912
ALA263
3.371
ILE264
3.539
PRO265
3.885
LEU268
3.948
LYS271
4.632
ILE272
4.338
VAL294
4.160
LYS296
4.176
PHE343
4.214
TRP388
3.621
TYR393
3.419
SER394
4.817
CYS397
1.995
TYR398
3.368
GLY425
3.207
THR426
2.842
GLU427
4.459
GLY434
2.777
TYR435
3.337
MET436
2.843
GLU437
4.511
ALA439
3.719
|
|||||
| PDB ID: 1S2Y Crystal structure of MAOB in complex with N-propargyl-1(S)-aminoindan | ||||||
| Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | No | [1] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.717
GLY11
3.192
GLY12
3.826
GLY13
3.342
ILE14
3.267
SER15
2.835
GLY16
4.156
LEU33
3.258
GLU34
2.521
ALA35
3.154
ARG36
3.019
ARG38
4.964
GLY40
3.590
GLY41
3.259
ARG42
2.773
THR43
3.607
LEU56
3.976
GLY57
3.636
GLY58
3.415
SER59
3.018
TYR60
2.769
GLN65
4.858
ARG233
3.684
PRO234
3.542
VAL235
2.822
ALA263
3.414
ILE264
3.399
PRO265
3.927
LEU268
3.805
LYS271
4.457
ILE272
4.443
VAL294
3.929
LYS296
4.130
PHE343
4.041
TRP388
3.533
TYR393
3.420
SER394
4.719
GLY396
4.762
CYS397
1.617
TYR398
3.468
GLY425
3.260
THR426
2.770
GLU427
4.627
GLY434
2.713
TYR435
3.231
MET436
2.815
GLU437
4.439
ALA439
3.679
|
|||||
| PDB ID: 2BYB Human Monoamine Oxidase B in complex with Deprenyl | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [15] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.556
GLY11
3.230
GLY12
3.709
GLY13
3.330
ILE14
3.496
SER15
2.747
GLY16
4.144
LEU33
3.154
GLU34
2.617
ALA35
3.279
ARG36
2.864
GLY40
3.537
GLY41
3.143
ARG42
2.690
THR43
3.658
LEU56
3.983
GLY57
3.667
GLY58
3.329
SER59
3.373
TYR60
2.917
ARG233
3.896
PRO234
3.697
VAL235
2.898
ALA263
3.520
ILE264
3.593
PRO265
3.988
LEU268
4.013
LYS271
4.807
ILE272
4.141
VAL294
3.890
LYS296
4.023
PHE343
4.130
TRP388
3.531
TYR393
3.323
SER394
4.610
GLY396
4.999
CYS397
1.613
TYR398
3.476
GLY425
3.287
THR426
2.735
GLU427
4.489
GLY434
3.005
TYR435
3.154
MET436
2.606
GLU437
4.465
ALA439
3.794
|
|||||
| PDB ID: 2C64 MAO inhibition by rasagiline analogues | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [6] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.760
GLY11
3.290
GLY12
3.904
GLY13
3.404
ILE14
3.274
SER15
2.933
GLY16
4.140
LEU33
3.292
GLU34
2.516
ALA35
3.150
ARG36
2.751
ARG38
4.964
GLY40
3.698
GLY41
3.240
ARG42
2.827
THR43
3.680
LEU56
4.089
GLY57
3.871
GLY58
3.292
SER59
3.278
TYR60
2.861
GLN65
4.691
ARG233
3.691
PRO234
3.601
VAL235
2.890
ALA263
3.511
ILE264
3.438
PRO265
4.042
LEU268
3.735
LYS271
4.557
ILE272
4.460
VAL294
4.003
LYS296
4.102
PHE343
4.220
TRP388
3.644
TYR393
3.331
SER394
4.642
GLY396
4.863
CYS397
1.624
TYR398
3.432
GLY425
3.475
THR426
2.828
GLU427
4.682
GLY434
2.887
TYR435
3.212
MET436
2.665
GLU437
4.340
ALA439
3.639
|
|||||
| PDB ID: 2C73 Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [7] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGFMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.698
GLY11
3.337
GLY12
3.935
GLY13
3.182
ILE14
3.311
SER15
2.899
GLY16
4.341
LEU33
3.169
GLU34
2.555
ALA35
3.295
ARG36
3.055
GLY40
3.921
GLY41
3.174
ARG42
2.880
THR43
3.624
LEU56
4.143
GLY57
3.864
GLY58
3.292
SER59
3.315
TYR60
2.721
VAL61
4.951
GLN65
4.582
ARG233
3.738
PRO234
3.482
VAL235
2.868
ALA263
3.292
ILE264
3.674
PRO265
3.922
LEU268
3.775
LYS271
4.517
ILE272
4.406
VAL294
4.045
LYS296
4.090
PHE343
4.265
TRP388
3.685
TYR393
3.378
SER394
4.782
GLY396
4.779
CYS397
1.659
TYR398
3.235
GLY425
3.317
THR426
2.788
GLU427
4.808
GLY434
3.024
PHE435
3.128
MET436
2.739
GLU437
4.477
ALA439
3.513
|
|||||
| PDB ID: 2XFQ Rasagiline-inhibited human monoamine oxidase B in complex with 2-(2- benzofuranyl)-2-imidazoline | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [3] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.746
GLY11
3.323
GLY12
3.875
GLY13
3.410
ILE14
3.319
SER15
2.883
GLY16
4.251
LEU33
3.305
GLU34
2.517
ALA35
3.067
ARG36
2.814
GLY40
3.707
GLY41
3.354
ARG42
2.876
THR43
3.523
LEU56
3.835
GLY57
3.599
GLY58
3.338
SER59
3.222
TYR60
2.705
VAL61
4.888
GLN65
4.880
ARG233
3.799
PRO234
3.666
VAL235
2.938
ALA263
3.417
ILE264
3.440
PRO265
3.856
LEU268
3.915
LYS271
4.619
ILE272
4.377
VAL294
4.163
LYS296
4.184
PHE343
4.298
TRP388
3.562
TYR393
3.468
SER394
4.843
GLY396
4.840
CYS397
1.652
TYR398
3.459
GLY425
3.345
THR426
2.805
GLU427
4.624
GLY434
2.844
TYR435
3.302
MET436
2.892
GLU437
4.457
ALA439
3.639
|
|||||
| PDB ID: 1OJ9 HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH 1,4-DIPHENYL-2-BUTENE | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [5] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.698
GLY11
3.167
GLY12
3.863
GLY13
3.472
ILE14
3.347
SER15
2.910
GLY16
4.235
LEU33
3.271
GLU34
2.661
ALA35
3.188
ARG36
3.110
ARG38
4.978
GLY40
3.631
GLY41
3.277
ARG42
2.768
THR43
3.612
LEU56
4.031
GLY57
3.626
GLY58
3.351
SER59
3.011
TYR60
2.716
VAL61
4.992
GLN65
4.908
ARG233
3.709
PRO234
3.583
VAL235
2.895
ALA263
3.498
ILE264
3.600
PRO265
4.085
LEU268
3.992
LYS271
4.496
ILE272
4.439
VAL294
4.004
LYS296
4.115
PHE343
4.306
TRP388
3.612
TYR393
3.423
SER394
4.776
GLY396
4.892
CYS397
1.643
TYR398
3.520
GLY425
3.271
THR426
2.797
GLU427
4.723
GLY434
2.733
TYR435
3.327
MET436
2.883
GLU437
4.598
ALA439
3.663
|
|||||
| PDB ID: 2VRM Structure of human MAO B in complex with phenyethylhydrazine | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [16] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.651
GLY11
3.110
GLY12
3.839
GLY13
3.390
ILE14
3.225
SER15
2.787
GLY16
4.167
LEU33
3.306
GLU34
2.610
ALA35
3.133
ARG36
2.878
ARG38
4.964
GLY40
3.538
GLY41
3.295
ARG42
2.717
THR43
3.357
LEU56
4.007
GLY57
3.664
GLY58
3.346
SER59
3.281
TYR60
2.712
VAL61
4.912
GLN65
4.830
ARG233
3.733
PRO234
3.535
VAL235
2.804
ALA263
3.442
ILE264
3.503
PRO265
3.963
LEU268
3.978
LYS271
4.403
ILE272
4.487
VAL294
4.060
LYS296
4.184
PHE343
4.244
TRP388
3.642
TYR393
3.317
SER394
4.611
GLY396
4.936
CYS397
1.626
TYR398
3.379
GLY425
3.124
THR426
2.672
GLU427
4.669
GLY434
2.793
TYR435
3.223
MET436
2.813
GLU437
4.448
ALA439
3.476
|
|||||
| PDB ID: 2VZ2 Human MAO B in complex with mofegiline | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [17] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.706
GLY11
3.144
GLY12
3.838
GLY13
3.400
ILE14
3.259
SER15
2.903
GLY16
4.195
LEU33
3.350
GLU34
2.659
ALA35
3.205
ARG36
2.837
ARG38
4.910
GLY40
3.521
GLY41
3.281
ARG42
2.857
THR43
3.587
LEU56
3.917
GLY57
3.610
GLY58
3.443
SER59
3.455
TYR60
2.781
VAL61
4.989
GLN65
4.866
ARG233
3.744
PRO234
3.639
VAL235
2.871
ALA263
3.442
ILE264
3.472
PRO265
3.817
LEU268
3.764
LYS271
4.462
ILE272
4.372
VAL294
4.036
LYS296
4.119
PHE343
4.270
TRP388
3.647
TYR393
3.290
SER394
4.800
GLY396
4.866
CYS397
1.608
TYR398
3.393
GLY425
3.282
THR426
2.795
GLU427
4.597
GLY434
2.805
TYR435
3.269
MET436
2.783
GLU437
4.432
ALA439
3.696
|
|||||
| PDB ID: 6RKB Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 1 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [9] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.763
GLY11
3.083
GLY12
3.720
GLY13
3.349
ILE14
3.161
SER15
2.852
GLY16
4.195
LEU33
3.446
GLU34
2.461
ALA35
3.206
ARG36
2.943
ARG38
4.900
GLY40
3.639
GLY41
3.303
ARG42
2.857
THR43
3.533
LEU56
3.885
GLY57
3.675
GLY58
3.336
SER59
3.285
TYR60
2.835
GLN65
4.928
ARG233
3.721
PRO234
3.673
VAL235
2.902
ALA263
3.460
ILE264
3.535
PRO265
3.886
LEU268
4.069
LYS271
4.545
ILE272
4.408
VAL294
4.240
LYS296
4.209
PHE343
4.286
TRP388
3.636
TYR393
3.446
SER394
4.778
GLY396
4.982
CYS397
1.646
TYR398
3.400
GLY425
3.382
THR426
2.937
GLU427
4.674
GLY434
2.819
TYR435
3.361
MET436
2.866
GLU437
4.508
ALA439
3.800
|
|||||
| PDB ID: 6RLE Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 97 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [9] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.710
GLY11
3.192
GLY12
3.781
GLY13
3.335
ILE14
3.110
SER15
2.853
GLY16
4.241
LEU33
3.461
GLU34
2.548
ALA35
3.241
ARG36
2.958
ARG38
4.827
GLY40
3.454
GLY41
3.415
ARG42
2.743
THR43
3.638
LEU56
4.119
GLY57
3.750
GLY58
3.415
SER59
3.253
TYR60
2.842
GLN65
4.940
ARG233
3.727
PRO234
3.748
VAL235
2.984
ALA263
3.638
ILE264
3.580
PRO265
4.028
LEU268
3.901
LYS271
4.497
ILE272
4.383
VAL294
4.042
LYS296
4.355
PHE343
4.253
TRP388
3.531
TYR393
3.473
SER394
4.646
GLY396
4.871
CYS397
1.647
TYR398
3.345
GLY425
3.365
THR426
2.885
GLU427
4.647
GLY434
2.505
TYR435
3.258
MET436
2.964
GLU437
4.610
ALA439
3.718
|
|||||
| PDB ID: 7B0V Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [13] |
| PDB Sequence |
SNKCDVVVVG
11 GGISGMAAAK21 LLHDSGLNVV31 VLEARDRVGG41 RTYTLRNQKV51 KYVDLGGSYV 61 GPTQNRILRL71 AKELGLETYK81 VNEVERLIHH91 VKGKSYPFRG101 PFPPVWNPIT 111 YLDHNNFWRT121 MDDMGREIPS131 DAPWKAPLAE141 EWDNMTMKEL151 LDKLCWTESA 161 KQLATLFVNL171 CVTAETHEVS181 ALWFLWYVKQ191 CGGTTRIIST201 TNGGQERKFV 211 GGSGQVSERI221 MDLLGDRVKL231 ERPVIYIDQT241 RENVLVETLN251 HEMYEAKYVI 261 SAIPPTLGMK271 IHFNPPLPMM281 RNQMITRVPL291 GSVIKCIVYY301 KEPFWRKKDY 311 CGTMIIDGEE321 APVAYTLDDT331 KPEGNYAAIM341 GFILAHKARK351 LARLTKEERL 361 KKLCELYAKV371 LGSLEALEPV381 HYEEKNWCEE391 QYSGGCYTTY401 FPPGILTQYG 411 RVLRQPVDRI421 YFAGTETATH431 WSGYMEGAVE441 AGERAAREIL451 HAMGKIPEDE 461 IWQSEPESVD471 VPAQPITTTF481 LERHLPSVPG491 LLRLIGLT
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.694
GLY11
3.214
GLY12
3.861
GLY13
3.332
ILE14
3.256
SER15
2.829
GLY16
4.212
LEU33
3.373
GLU34
2.530
ALA35
3.155
ARG36
2.919
ARG38
4.871
GLY40
3.637
GLY41
3.270
ARG42
2.798
THR43
3.611
LEU56
3.917
GLY57
3.719
GLY58
3.257
SER59
3.209
TYR60
2.749
GLN65
4.852
ARG233
3.793
PRO234
3.626
VAL235
2.947
ALA263
3.413
ILE264
3.441
PRO265
3.850
LEU268
3.916
LYS271
4.455
ILE272
4.279
VAL294
4.278
LYS296
4.172
PHE343
4.434
TRP388
3.567
TYR393
3.358
SER394
4.719
GLY396
4.830
CYS397
1.637
TYR398
3.438
GLY425
3.302
THR426
2.864
GLU427
4.455
GLY434
2.687
TYR435
3.381
MET436
2.902
GLU437
4.612
ALA439
3.695
|
|||||
| PDB ID: 7P4F Crystal Structure of Monoamine Oxidase B in complex with inhibitor 1 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [14] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.803
GLY11
3.151
GLY12
3.782
GLY13
3.318
ILE14
3.143
SER15
2.933
GLY16
4.296
LEU33
3.381
GLU34
2.384
ALA35
3.129
ARG36
3.028
ARG38
4.954
GLY40
3.647
GLY41
3.319
ARG42
2.803
THR43
3.526
LEU56
4.002
GLY57
3.722
GLY58
3.348
SER59
3.226
TYR60
2.750
VAL61
4.959
GLN65
4.995
ARG233
3.704
PRO234
3.589
VAL235
2.872
ALA263
3.544
ILE264
3.473
PRO265
3.927
LEU268
4.081
LYS271
4.569
ILE272
4.320
VAL294
4.075
LYS296
4.245
PHE343
4.400
TRP388
3.676
TYR393
3.459
SER394
4.785
GLY396
4.935
CYS397
1.655
TYR398
3.377
GLY425
3.282
THR426
2.891
GLU427
4.542
GLY434
2.821
TYR435
3.375
MET436
2.858
GLU437
4.545
ALA439
3.652
|
|||||
| PDB ID: 1OJC HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH N-(2-aminoethyl)-p-chlorobenzamide | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [5] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.761
GLY11
3.166
GLY12
3.800
GLY13
3.407
ILE14
3.319
SER15
2.881
GLY16
4.188
LEU33
3.399
GLU34
2.523
ALA35
3.141
ARG36
3.138
ARG38
4.989
GLY40
3.628
GLY41
3.329
ARG42
2.792
THR43
3.618
LEU56
3.933
GLY57
3.585
GLY58
3.395
SER59
3.086
TYR60
2.769
GLN65
4.952
ARG233
3.754
PRO234
3.500
VAL235
2.851
ALA263
3.506
ILE264
3.515
PRO265
4.050
LEU268
3.957
LYS271
4.459
ILE272
4.376
VAL294
3.975
LYS296
4.226
PHE343
4.382
TRP388
3.606
TYR393
3.456
SER394
4.877
GLY396
4.913
CYS397
1.627
TYR398
3.545
GLY425
3.359
THR426
2.790
GLU427
4.661
GLY434
2.951
TYR435
3.403
MET436
2.785
GLU437
4.499
ALA439
3.723
|
|||||
| PDB ID: 2VRL Structure of human MAO B in complex with benzylhydrazine | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [16] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.782
GLY11
3.250
GLY12
3.860
GLY13
3.403
ILE14
3.301
SER15
2.845
GLY16
4.193
LEU33
3.395
GLU34
2.563
ALA35
3.202
ARG36
3.001
GLY40
3.676
GLY41
3.365
ARG42
2.790
THR43
3.583
LEU56
3.968
GLY57
3.637
GLY58
3.409
SER59
3.373
TYR60
2.760
VAL61
4.979
GLN65
4.882
ARG233
3.776
PRO234
3.514
VAL235
2.870
ALA263
3.483
ILE264
3.471
PRO265
4.002
LEU268
4.023
LYS271
4.526
ILE272
4.413
VAL294
4.178
LYS296
4.183
PHE343
4.318
TRP388
3.674
TYR393
3.453
SER394
4.778
GLY396
4.984
CYS397
1.636
TYR398
3.489
GLY425
3.321
THR426
2.792
GLU427
4.772
GLY434
2.856
TYR435
3.279
MET436
2.834
GLU437
4.480
ALA439
3.652
|
|||||
| PDB ID: 5MRL Crystal structure of human monoamine oxidase B (MAO B) in complex with N(Furan2ylmethyl)Nmethylprop2yn1amine (F2MPA) | ||||||
| Method | X-ray diffraction | Resolution | 2.42 Å | Mutation | No | [18] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.744
GLY11
3.224
GLY12
3.763
GLY13
3.413
ILE14
3.225
SER15
2.876
GLY16
4.209
LEU33
3.334
GLU34
2.498
ALA35
3.229
ARG36
2.997
ARG38
4.977
GLY40
3.584
GLY41
3.320
ARG42
2.882
THR43
3.532
LEU56
3.935
GLY57
3.616
GLY58
3.436
SER59
3.284
TYR60
2.782
VAL61
4.963
GLN65
4.924
ARG233
3.890
PRO234
3.713
VAL235
2.953
ALA263
3.424
ILE264
3.484
PRO265
3.993
LEU268
3.969
LYS271
4.588
ILE272
4.378
VAL294
4.126
LYS296
4.186
PHE343
4.429
TRP388
3.590
TYR393
3.314
SER394
4.790
GLY396
4.959
CYS397
1.663
TYR398
3.346
GLY425
3.338
THR426
2.883
GLU427
4.547
GLY434
2.984
TYR435
3.245
MET436
2.900
GLU437
4.494
ALA439
3.646
|
|||||
| PDB ID: 2C66 MAO inhibition by rasagiline analogues | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [6] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIISTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAYTLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.662
GLY11
3.182
GLY12
3.851
GLY13
3.359
ILE14
3.213
SER15
2.687
GLY16
4.149
LEU33
3.223
GLU34
2.376
ALA35
3.086
ARG36
2.827
ARG38
4.834
GLY40
3.681
GLY41
3.354
ARG42
2.881
THR43
3.439
LEU56
3.808
GLY57
3.489
GLY58
3.329
SER59
3.053
TYR60
2.760
VAL61
4.969
ARG233
3.633
PRO234
3.592
VAL235
2.822
ALA263
3.392
ILE264
3.776
PRO265
3.929
LEU268
4.006
LYS271
4.558
ILE272
4.352
VAL294
4.356
LYS296
3.998
PHE343
4.142
TRP388
3.540
TYR393
3.283
SER394
4.780
CYS397
1.641
TYR398
3.391
GLY425
3.207
THR426
2.775
GLU427
4.704
GLY434
2.912
TYR435
3.229
MET436
2.870
GLU437
4.452
ALA439
3.688
|
|||||
| PDB ID: 1GOS Human Monoamine Oxidase B | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [19] |
| PDB Sequence |
KCDVVVVGGG
13 ISGMAAAKLL23 HDSGLNVVVL33 EARDRVGGRT43 YTLRNQKVKY53 VDLGGSYVGP 63 TQNRILRLAK73 ELGLETYKVN83 EVERLIHHVK93 GKSYPFRGPF103 PPVWNPITYL 113 DHNNFWRTMD123 DMGREIPSDA133 PWKAPLAEEW143 DNMTMKELLD153 KLCWTESAKQ 163 LATLFVNLCV173 TAETHEVSAL183 WFLWYVKQCG193 GTTRIISTTN203 GGQERKFVGG 213 SGQVSERIMD223 LLGDRVKLER233 PVIYIDQTRE243 NVLVETLNHE253 MYEAKYVISA 263 IPPTLGMKIH273 FNPPLPMMRN283 QMITRVPLGS293 VIKCIVYYKE303 PFWRKKDYCG 313 TMIIDGEEAP323 VAYTLDDTKP333 EGNYAAIMGF343 ILAHKARKLA353 RLTKEERLKK 363 LCELYAKVLG373 SLEALEPVHY383 EEKNWCEEQY393 SGGCYTTYFP403 PGILTQYGRV 413 LRQPVDRIYF423 AGTETATHWS433 GYMEGAVEAG443 ERAAREILHA453 MGKIPEDEIW 463 QSEPESVDVP473 AQPITTTFLE483 RHLPSVPGLL493 RLIGLTT
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:39 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.200
GLY11
3.379
GLY12
3.386
GLY13
3.583
ILE14
3.485
SER15
3.255
GLY16
4.309
LEU33
3.988
GLU34
2.117
ALA35
3.702
ARG36
3.067
VAL39
4.638
GLY40
4.496
GLY41
2.987
ARG42
2.417
THR43
4.542
LEU56
4.460
GLY57
3.619
GLY58
3.438
SER59
2.991
TYR60
2.751
VAL61
4.828
GLN65
4.647
ARG233
4.067
PRO234
3.783
VAL235
2.926
ALA263
3.846
ILE264
3.427
PRO265
4.328
LEU268
4.347
LYS271
3.778
ILE272
4.442
VAL294
4.467
LYS296
4.767
PHE343
4.710
TRP388
3.762
TYR393
3.308
SER394
3.938
GLY396
4.805
CYS397
1.825
TYR398
3.469
GLY425
3.508
THR426
3.029
GLU427
4.827
GLY434
2.691
TYR435
3.123
MET436
2.635
GLU437
4.335
ALA439
3.022
|
|||||
| PDB ID: 1OJD HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH Lauryldimethylamine-N-oxide (LDAO) | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [5] |
| PDB Sequence |
KCDVVVVGGG
13 ISGMAAAKLL23 HDSGLNVVVL33 EARDRVGGRT43 YTLRNQKVKY53 VDLGGSYVGP 63 TQNRILRLAK73 ELGLETYKVN83 EVERLIHHVK93 GKSYPFRGPF103 PPVWNPITYL 113 DHNNFWRTMD123 DMGREIPSDA133 PWKAPLAEEW143 DNMTMKELLD153 KLCWTESAKQ 163 LATLFVNLCV173 TAETHEVSAL183 WFLWYVKQCG193 GTTRIISTTN203 GGQERKFVGG 213 SGQVSERIMD223 LLGDRVKLER233 PVIYIDQTRE243 NVLVETLNHE253 MYEAKYVISA 263 IPPTLGMKIH273 FNPPLPMMRN283 QMITRVPLGS293 VIKCIVYYKE303 PFWRKKDYCG 313 TMIIDGEEAP323 VAYTLDDTKP333 EGNYAAIMGF343 ILAHKARKLA353 RLTKEERLKK 363 LCELYAKVLG373 SLEALEPVHY383 EEKNWCEEQY393 SGGCYTTYFP403 PGILTQYGRV 413 LRQPVDRIYF423 AGTETATHWS433 GYMEGAVEAG443 ERAAREILHA453 MGKIPEDEIW 463 QSEPESVDVP473 AQPITTTFLE483 RHLPSVPGLL493 RLIGLTT
|
|||||
|
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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.767
GLY11
3.187
GLY12
3.597
GLY13
3.516
ILE14
3.398
SER15
3.205
GLY16
4.336
LEU33
3.713
GLU34
2.496
ALA35
3.366
ARG36
3.309
ARG38
4.929
GLY40
3.639
GLY41
3.443
ARG42
2.825
THR43
3.832
LEU56
4.260
GLY57
3.881
GLY58
3.277
SER59
3.161
TYR60
2.879
GLN65
4.777
ARG233
3.752
PRO234
3.521
VAL235
2.845
ALA263
3.573
ILE264
3.414
PRO265
4.081
LEU268
4.118
LYS271
4.339
ILE272
4.496
VAL294
3.865
LYS296
4.373
PHE343
4.369
TRP388
3.563
TYR393
3.395
SER394
3.888
GLY396
4.967
CYS397
1.603
TYR398
3.217
GLY425
3.438
THR426
2.957
GLU427
4.863
GLY434
2.671
TYR435
3.090
MET436
2.740
GLU437
4.437
ALA439
3.675
|
|||||
| PDB ID: 6YT2 Crystal Structure of human monoamine oxidase B in complex with Diphenylene iodonium (DPI) | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [20] |
| PDB Sequence |
SNKCDVVVVG
11 GGISGMAAAK21 LLHDSGLNVV31 VLEARDRVGG41 RTYTLRNQKV51 KYVDLGGSYV 61 GPTQNRILRL71 AKELGLETYK81 VNEVERLIHH91 VKGKSYPFRG101 PFPPVWNPIT 111 YLDHNNFWRT121 MDDMGREIPS131 DAPWKAPLAE141 EWDNMTMKEL151 LDKLCWTESA 161 KQLATLFVNL171 CVTAETHEVS181 ALWFLWYVKQ191 CGGTTRIIST201 TNGGQERKFV 211 GGSGQVSERI221 MDLLGDRVKL231 ERPVIYIDQT241 RENVLVETLN251 HEMYEAKYVI 261 SAIPPTLGMK271 IHFNPPLPMM281 RNQMITRVPL291 GSVIKCIVYY301 KEPFWRKKDY 311 CGTMIIDGEE321 APVAYTLDDT331 KPEGNYAAIM341 GFILAHKARK351 LARLTKEERL 361 KKLCELYAKV371 LGSLEALEPV381 HYEEKNWCEE391 QYSGGCYTTY401 FPPGILTQYG 411 RVLRQPVDRI421 YFAGTETATH431 WSGYMEGAVE441 AGERAAREIL451 HAMGKIPEDE 461 IWQSEPESVD471 VPAQPITTTF481 LERHLPSVPG491 LLRLIGLTTI501 |
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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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.564
GLY11
3.152
GLY12
3.773
GLY13
3.222
ILE14
3.184
SER15
2.761
GLY16
4.206
LEU33
3.209
GLU34
2.479
ALA35
3.109
ARG36
2.917
ARG38
4.892
GLY40
3.509
GLY41
3.239
ARG42
2.763
THR43
3.467
LEU56
3.831
GLY57
3.625
GLY58
3.188
SER59
3.149
TYR60
2.662
VAL61
4.923
GLN65
4.875
ARG233
3.761
PRO234
3.570
VAL235
2.846
ALA263
3.425
ILE264
3.321
PRO265
3.793
LEU268
3.971
LYS271
4.416
ILE272
4.191
VAL294
3.978
LYS296
4.115
PHE343
4.283
TRP388
3.396
TYR393
3.343
SER394
4.741
CYS397
1.910
TYR398
3.288
GLY425
3.232
THR426
2.782
GLU427
4.230
GLY434
2.695
TYR435
3.251
MET436
2.873
GLU437
4.568
ALA439
3.553
|
|||||
| PDB ID: 3ZYX Crystal structure of human monoamine oxidase B in complex with methylene blue and bearing the double mutation I199A-Y326A | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [21] |
| PDB Sequence |
NKCDVVVVGG
12 GISGMAAAKL22 LHDSGLNVVV32 LEARDRVGGR42 TYTLRNQKVK52 YVDLGGSYVG 62 PTQNRILRLA72 KELGLETYKV82 NEVERLIHHV92 KGKSYPFRGP102 FPPVWNPITY 112 LDHNNFWRTM122 DDMGREIPSD132 APWKAPLAEE142 WDNMTMKELL152 DKLCWTESAK 162 QLATLFVNLC172 VTAETHEVSA182 LWFLWYVKQC192 GGTTRIASTT202 NGGQERKFVG 212 GSGQVSERIM222 DLLGDRVKLE232 RPVIYIDQTR242 ENVLVETLNH252 EMYEAKYVIS 262 AIPPTLGMKI272 HFNPPLPMMR282 NQMITRVPLG292 SVIKCIVYYK302 EPFWRKKDYC 312 GTMIIDGEEA322 PVAATLDDTK332 PEGNYAAIMG342 FILAHKARKL352 ARLTKEERLK 362 KLCELYAKVL372 GSLEALEPVH382 YEEKNWCEEQ392 YSGGCYTTYF402 PPGILTQYGR 412 VLRQPVDRIY422 FAGTETATHW432 SGYMEGAVEA442 GERAAREILH452 AMGKIPEDEI 462 WQSEPESVDV472 PAQPITTTFL482 ERHLPSVPGL492 LRLIGLTTI
|
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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:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:33 or .A:34 or .A:35 or .A:36 or .A:38 or .A:40 or .A:41 or .A:42 or .A:43 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:233 or .A:234 or .A:235 or .A:263 or .A:264 or .A:265 or .A:268 or .A:271 or .A:272 or .A:294 or .A:296 or .A:343 or .A:388 or .A:393 or .A:394 or .A:396 or .A:397 or .A:398 or .A:425 or .A:426 or .A:427 or .A:434 or .A:435 or .A:436 or .A:437 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL10
3.759
GLY11
3.164
GLY12
3.911
GLY13
3.401
ILE14
3.259
SER15
2.823
GLY16
4.237
LEU33
3.261
GLU34
2.607
ALA35
3.125
ARG36
2.981
ARG38
4.951
GLY40
3.604
GLY41
3.236
ARG42
2.786
THR43
3.533
LEU56
3.940
GLY57
3.712
GLY58
3.305
SER59
3.213
TYR60
2.711
VAL61
4.910
GLN65
4.928
ARG233
3.682
PRO234
3.604
VAL235
2.867
ALA263
3.492
ILE264
3.579
PRO265
4.029
LEU268
3.865
LYS271
4.548
ILE272
4.453
VAL294
4.112
LYS296
4.387
PHE343
4.355
TRP388
3.517
TYR393
3.461
SER394
4.642
GLY396
4.904
CYS397
1.635
TYR398
3.445
GLY425
3.298
THR426
2.700
GLU427
4.568
GLY434
2.789
TYR435
3.256
MET436
2.894
GLU437
4.471
ALA439
3.545
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of monoamine oxidase B in complex with four inhibitors of the N-propargylaminoindan class. J Med Chem. 2004 Mar 25;47(7):1767-74. | ||||
| REF 2 | Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs. J Med Chem. 2007 Nov 15;50(23):5848-52. | ||||
| REF 3 | Potentiation of ligand binding through cooperative effects in monoamine oxidase B. J Biol Chem. 2010 Nov 19;285(47):36849-56. | ||||
| REF 4 | Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis. J Med Chem. 2018 May 10;61(9):4203-4212. | ||||
| REF 5 | Insights into the mode of inhibition of human mitochondrial monoamine oxidase B from high-resolution crystal structures. Proc Natl Acad Sci U S A. 2003 Aug 19;100(17):9750-5. | ||||
| REF 6 | Binding of rasagiline-related inhibitors to human monoamine oxidases: a kinetic and crystallographic analysis. J Med Chem. 2005 Dec 29;48(26):8148-54. | ||||
| REF 7 | Functional role of the "aromatic cage" in human monoamine oxidase B: structures and catalytic properties of Tyr435 mutant proteins. Biochemistry. 2006 Apr 18;45(15):4775-84. | ||||
| REF 8 | Molecular Insights into Human Monoamine Oxidase B Inhibition by the Glitazone Anti-Diabetes Drugs. ACS Med Chem Lett. 2011 Oct 15;3(1):39-42. | ||||
| REF 9 | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B. J Med Chem. 2020 Feb 13;63(3):1361-1387. | ||||
| REF 10 | Demonstration of isoleucine 199 as a structural determinant for the selective inhibition of human monoamine oxidase B by specific reversible inhibitors. J Biol Chem. 2005 Apr 22;280(16):15761-6. | ||||
| REF 11 | Interactions of monoamine oxidases with the antiepileptic drug zonisamide: specificity of inhibition and structure of the human monoamine oxidase B complex. J Med Chem. 2011 Feb 10;54(3):909-12. | ||||
| REF 12 | Kinetic and structural analysis of the irreversible inhibition of human monoamine oxidases by ASS234, a multi-target compound designed for use in Alzheimer's disease. Biochim Biophys Acta. 2014 Jun;1844(6):1104-10. | ||||
| REF 13 | Promising Non-cytotoxic Monosubstituted Chalcones to Target Monoamine Oxidase-B. ACS Med Chem Lett. 2021 Jun 14;12(7):1151-1158. | ||||
| REF 14 | Dual Reversible Coumarin Inhibitors Mutually Bound to Monoamine Oxidase B and Acetylcholinesterase Crystal Structures. ACS Med Chem Lett. 2022 Feb 18;13(3):499-506. | ||||
| REF 15 | Three-dimensional structure of human monoamine oxidase A (MAO A): relation to the structures of rat MAO A and human MAO B. Proc Natl Acad Sci U S A. 2005 Sep 6;102(36):12684-9. | ||||
| REF 16 | Structural and mechanistic studies of arylalkylhydrazine inhibition of human monoamine oxidases A and B. Biochemistry. 2008 May 20;47(20):5616-25. | ||||
| REF 17 | Structural and mechanistic studies of mofegiline inhibition of recombinant human monoamine oxidase B. J Med Chem. 2008 Dec 25;51(24):8019-26. | ||||
| REF 18 | Comparative Analysis of the Neurochemical Profile and MAO Inhibition Properties of N-(Furan-2-ylmethyl)-N-methylprop-2-yn-1-amine. ACS Chem Neurosci. 2017 May 17;8(5):1026-1035. | ||||
| REF 19 | Structure of human monoamine oxidase B, a drug target for the treatment of neurological disorders. Nat Struct Biol. 2002 Jan;9(1):22-6. | ||||
| REF 20 | Diphenylene Iodonium Is a Noncovalent MAO Inhibitor: A Biochemical and Structural Analysis. ChemMedChem. 2020 Aug 5;15(15):1394-1397. | ||||
| REF 21 | The 'gating' residues Ile199 and Tyr326 in human monoamine oxidase B function in substrate and inhibitor recognition. FEBS J. 2011 Dec;278(24):4860-9. | ||||
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