Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Zonisamide | Ligand Info | |||||
| Structure Description | Human monoamine oxidase B in complex with zonisamide | PDB:3PO7 | ||||
| Method | X-ray diffraction | Resolution | 1.80 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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| Ligand Name: (R)-3-Prop-2-ynylamino-indan-5-ol | Ligand Info | |||||
| Structure Description | Crystal structure of MAOB in complex with 6-hydroxy-N-propargyl-1(R)-aminoindan | PDB:1S3E | ||||
| 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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| Ligand Name: Flavin-Adenine Dinucleotide | Ligand Info | |||||
| Structure Description | Crystal structure of MAOB in complex with 6-hydroxy-N-propargyl-1(R)-aminoindan | PDB:1S3E | ||||
| 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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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
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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
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-Methyl-N-Propargyl-1(R)-Aminoindan | Ligand Info | |||||
| Structure Description | Crystal structure of MAOB in complex with N-methyl-N-propargyl-1(R)-aminoindan | PDB:1S3B | ||||
| Method | X-ray diffraction | Resolution | 1.65 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RMA or .RMA2 or .RMA3 or :3RMA;style chemicals stick;color identity;select .A:58 or .A:60 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:326 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1H-Indole-2,3-dione | Ligand Info | |||||
| Structure Description | Isatin-inhibited human monoamine oxidase B in complex with 2-(2- benzofuranyl)-2-imidazoline | PDB:2XFP | ||||
| 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 .ISN or .ISN2 or .ISN3 or :3ISN;style chemicals stick;color identity;select .A:60 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:326 or .A:328 or .A:341 or .A:343 or .A:398 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-Propargyl-1(S)-Aminoindan | Ligand Info | |||||
| Structure Description | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins | PDB:2C75 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [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 SGLMEGAVEA442 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 .RSA or .RSA2 or .RSA3 or :3RSA;style chemicals stick;color identity;select .A:58 or .A:60 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:326 or .A:328 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Farnesol | Ligand Info | |||||
| Structure Description | Human Monoamine Oxidase B in complex with Farnesol | PDB:2BK3 | ||||
| Method | X-ray diffraction | Resolution | 1.80 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 .FOF or .FOF2 or .FOF3 or :3FOF;style chemicals stick;color identity;select .A:60 or .A:102 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:343 or .A:398 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 7-(3-chlorobenzyloxy)-4-carboxaldehyde-coumarin | Ligand Info | |||||
| Structure Description | Structure of human MAO B in complex with the selective inhibitor 7-(3- chlorobenzyloxy)-4-carboxaldehyde-coumarin | PDB:2V60 | ||||
| Method | X-ray diffraction | Resolution | 2.00 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
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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 .C17 or .C172 or .C173 or :3C17;style chemicals stick;color identity;select .A:60 or .A:102 or .A:103 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:328 or .A:341 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR60
3.739
PRO102
3.500
PHE103
4.708
PRO104
3.973
TRP119
4.037
LEU164
3.627
LEU167
4.170
PHE168
3.712
LEU171
3.266
CYS172
3.502
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| Ligand Name: Deprenyl | Ligand Info | |||||
| Structure Description | Human Monoamine Oxidase B in complex with Deprenyl | PDB:2BYB | ||||
| Method | X-ray diffraction | Resolution | 2.20 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
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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 .DPK or .DPK2 or .DPK3 or :3DPK;style chemicals stick;color identity;select .A:58 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:326 or .A:343 or .A:398 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [(1e)-4-phenylbut-1-enyl]benzene | Ligand Info | |||||
| Structure Description | HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH 1,4-DIPHENYL-2-BUTENE | PDB:1OJ9 | ||||
| Method | X-ray diffraction | Resolution | 2.30 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
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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 .1PB or .1PB2 or .1PB3 or :31PB;style chemicals stick;color identity;select .A:60 or .A:102 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Toluene | Ligand Info | |||||
| Structure Description | Structure of human MAO B in complex with benzylhydrazine | PDB:2VRL | ||||
| Method | X-ray diffraction | Resolution | 2.40 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
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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 .MBN or .MBN2 or .MBN3 or :3MBN;style chemicals stick;color identity;select .A:58 or .A:60 or .A:171 or .A:172 or .A:206 or .A:343 or .A:398 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN | Ligand Info | |||||
| Structure Description | MAO inhibition by rasagiline analogues | PDB:2C66 | ||||
| Method | X-ray diffraction | Resolution | 2.50 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
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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 .RM2 or .RM22 or .RM23 or :3RM2;style chemicals stick;color identity;select .A:58 or .A:60 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:326 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Lauryl Dimethylamine-N-Oxide | Ligand Info | |||||
| Structure Description | HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH Lauryldimethylamine-N-oxide (LDAO) | PDB:1OJD | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [8] |
| 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
|
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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 .LDA or .LDA2 or .LDA3 or :3LDA;style chemicals stick;color identity;select .A:60 or .A:102 or .A:103 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:343 or .A:398 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM | Ligand Info | |||||
| Structure Description | Crystal structure of human monoamine oxidase B in complex with methylene blue and bearing the double mutation I199A-Y326A | PDB:3ZYX | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [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 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 .MBT or .MBT2 or .MBT3 or :3MBT;style chemicals stick;color identity;select .A:60 or .A:88 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:314 or .A:315 or .A:316 or .A:326 or .A:327 or .A:328 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (S)-(+)-2-[4-(Fluorobenzyloxy-Benzylamino)propionamide] | Ligand Info | |||||
| Structure Description | Structure of human MAO B in complex with the selective inhibitor safinamide | PDB:2V5Z | ||||
| Method | X-ray diffraction | Resolution | 1.60 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
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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 .SAG or .SAG2 or .SAG3 or :3SAG;style chemicals stick;color identity;select .A:60 or .A:102 or .A:103 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:205 or .A:206 or .A:316 or .A:326 or .A:343 or .A:398 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 2-(1-benzofuran-2-yl)-1H-imidazole | Ligand Info | |||||
| Structure Description | Human monoamine oxidase B in complex with 2-(2-benzofuranyl)-2- imidazoline | PDB:2XFN | ||||
| 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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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XCG or .XCG2 or .XCG3 or :3XCG;style chemicals stick;color identity;select .A:84 or .A:88 or .A:101 or .A:102 or .A:103 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:199 or .A:200 or .A:201 or .A:314 or .A:316 or .A:326; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(3-chlorophenyl)-4-oxo-4h-chromen-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human monoamine oxidase B (MAO B) in complex with chlorophenyl-chromone-carboxamide | PDB:6FW0 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [12] |
| 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 .E92 or .E922 or .E923 or :3E92;style chemicals stick;color identity;select .A:60 or .A:102 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:343 or .A:398 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (+)-Rosiglitazone | Ligand Info | |||||
| Structure Description | Crystal structure of human monoamine oxidase B (MAO B) in complex with rosiglitazone | PDB:4A7A | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [13] |
| 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 .RGZ or .RGZ2 or .RGZ3 or :3RGZ;style chemicals stick;color identity;select .A:60 or .A:102 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (1R)-4-({[Ethyl(methyl)amino]carbonyl}oxy)-N-methyl-N-[(1E)-prop-2-EN-1-ylidene]indan-1-aminium | Ligand Info | |||||
| Structure Description | MAO inhibition by rasagiline analogues | PDB:2C65 | ||||
| Method | X-ray diffraction | Resolution | 1.70 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
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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 .4CR or .4CR2 or .4CR3 or :34CR;style chemicals stick;color identity;select .A:58 or .A:60 or .A:102 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:343 or .A:398 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine | Ligand Info | |||||
| Structure Description | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 84 | PDB:6RKP | ||||
| Method | X-ray diffraction | Resolution | 1.70 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
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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 .K72 or .K722 or .K723 or :3K72;style chemicals stick;color identity;select .A:58 or .A:60 or .A:102 or .A:103 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 7-[(3-Chlorobenzyl)oxy]-4-[(Methylamino)methyl]-2h-Chromen-2-One | Ligand Info | |||||
| Structure Description | Structure of human MAO B in complex with the selective inhibitor 7-(3- chlorobenzyloxy)-4-(methylamino)methyl-coumarin | PDB:2V61 | ||||
| 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
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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 .C18 or .C182 or .C183 or :3C18;style chemicals stick;color identity;select .A:60 or .A:102 or .A:103 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:188 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:328 or .A:341 or .A:343 or .A:398 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR60
3.644
PRO102
3.598
PHE103
4.717
PRO104
3.882
TRP119
3.972
LEU164
3.425
LEU167
4.035
PHE168
3.768
LEU171
3.248
CYS172
3.262
TYR188
4.567
|
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| Ligand Name: N-(3-fluorophenyl)-4-oxochromene-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human monoamine oxidase B (MAO B) in complex with fluorophenyl-chromone-carboxamide | PDB:6FWC | ||||
| Method | X-ray diffraction | Resolution | 1.70 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
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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 .E98 or .E982 or .E983 or :3E98;style chemicals stick;color identity;select .A:60 or .A:102 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-Methyl-1(R)-aminoindan | Ligand Info | |||||
| Structure Description | MAO inhibition by rasagiline analogues | PDB:2C67 | ||||
| Method | X-ray diffraction | Resolution | 1.70 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
|
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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 .RM1 or .RM12 or .RM13 or :3RM1;style chemicals stick;color identity;select .A:60 or .A:171 or .A:172 or .A:188 or .A:198 or .A:199 or .A:206 or .A:326 or .A:343 or .A:398 or .A:434 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (E)-N-[[5-[3-(1-benzylpiperidin-4-yl)propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-1-en-1-amine | Ligand Info | |||||
| Structure Description | Crystal structure of human monoamine oxidase B in complex with the multi-target inhibitor ASS234 | PDB:4CRT | ||||
| Method | X-ray diffraction | Resolution | 1.80 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
|
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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 .ASS or .ASS2 or .ASS3 or :3ASS;style chemicals stick;color identity;select .A:58 or .A:60 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3,4-Dimethylphenyl)-4-oxo-4H-1-benzopyran-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human monoamine oxidase B (MAO B) in complex with dimethylphenyl-chromone-carboxamide | PDB:6FVZ | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [12] |
| 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 .E8Z or .E8Z2 or .E8Z3 or :3E8Z;style chemicals stick;color identity;select .A:60 or .A:102 or .A:103 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:343 or .A:398 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (5r)-5-{4-[2-(5-Ethylpyridin-2-Yl)ethoxy]benzyl}-1,3-Thiazolidine-2,4-Dione | Ligand Info | |||||
| Structure Description | Crystal structure of human monoamine oxidase B (MAO B) in complex with pioglitazone | PDB:4A79 | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [13] |
| 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 .P1B or .P1B2 or .P1B3 or :3P1B;style chemicals stick;color identity;select .A:60 or .A:102 or .A:103 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:195 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (1r)-N-(Prop-2-En-1-Yl)-2,3-Dihydro-1h-Inden-1-Amine | Ligand Info | |||||
| Structure Description | Human Monoamine Oxidase B: I199F mutant in complex with rasagiline | PDB:2BK4 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [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 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
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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 .RAS or .RAS2 or .RAS3 or :3RAS;style chemicals stick;color identity;select .A:58 or .A:60 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:326 or .A:328 or .A:343 or .A:398 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-Phenylpropanal | Ligand Info | |||||
| Structure Description | Tranylcypromine-inhibited human monoamine oxidase B in complex with 2- (2-benzofuranyl)-2-imidazoline | PDB:2XCG | ||||
| Method | X-ray diffraction | Resolution | 1.90 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 .3PL or .3PL2 or .3PL3 or :33PL;style chemicals stick;color identity;select .A:60 or .A:171 or .A:172 or .A:188 or .A:205 or .A:206 or .A:343 or .A:398 or .A:434 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [[(2r,3s,4s)-5-[(4as)-7,8-Dimethyl-2,4-Dioxo-4a,5-Dihydrobenzo[g]pteridin-10-Yl]-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] [(2r,3s,4r,5r)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]methyl Hydrogen Phosphate | Ligand Info | |||||
| Structure Description | Tranylcypromine-inhibited human monoamine oxidase B in complex with 2- (2-benzofuranyl)-2-imidazoline | PDB:2XCG | ||||
| Method | X-ray diffraction | Resolution | 1.90 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 .FA8 or .FA82 or .FA83 or :3FA8;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
3.651
GLY11
3.250
GLY12
3.827
GLY13
3.417
ILE14
3.404
SER15
2.873
GLY16
4.262
LEU33
3.269
GLU34
2.606
ALA35
3.148
ARG36
2.843
GLY40
3.679
GLY41
3.264
ARG42
2.776
THR43
3.603
LEU56
4.110
GLY57
3.728
GLY58
3.355
SER59
3.014
TYR60
2.784
GLN65
4.912
ARG233
3.730
PRO234
3.664
VAL235
2.921
ALA263
3.444
ILE264
3.403
PRO265
3.838
LEU268
3.925
LYS271
4.598
ILE272
4.385
VAL294
3.996
LYS296
4.168
PHE343
4.332
TRP388
3.541
TYR393
3.482
SER394
4.789
GLY396
4.949
CYS397
1.672
TYR398
3.356
GLY425
3.352
THR426
2.803
GLU427
4.543
GLY434
2.797
TYR435
3.213
MET436
2.864
GLU437
4.509
ALA439
3.558
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-Nitrobenzylamine | Ligand Info | |||||
| Structure Description | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins | PDB:2C70 | ||||
| Method | X-ray diffraction | Resolution | 2.06 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
|
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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 .PNZ or .PNZ2 or .PNZ3 or :3PNZ;style chemicals stick;color identity;select .A:60 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:326 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 3,4-dimethyl-7-[[(3~{S})-piperidin-3-yl]methoxy]chromen-2-one | Ligand Info | |||||
| Structure Description | Crystal Structure of Monoamine Oxidase B in complex with inhibitor (+)-2 | PDB:7P4H | ||||
| Method | X-ray diffraction | Resolution | 2.10 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
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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 .5IH or .5IH2 or .5IH3 or :35IH;style chemicals stick;color identity;select .A:60 or .A:102 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:328 or .A:341 or .A:343 or .A:398 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4'-(Trifluoromethyl)chalcone | Ligand Info | |||||
| Structure Description | Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one | PDB:7B0Z | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [17] |
| 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
|
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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 .SK5 or .SK52 or .SK53 or :3SK5;style chemicals stick;color identity;select .A:60 or .A:102 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (1Z)-4-(4-Fluorophenyl)-2-methylidenebutan-1-imine | Ligand Info | |||||
| Structure Description | Human MAO B in complex with mofegiline | PDB:2VZ2 | ||||
| Method | X-ray diffraction | Resolution | 2.30 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
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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 .MFG or .MFG2 or .MFG3 or :3MFG;style chemicals stick;color identity;select .A:60 or .A:171 or .A:172 or .A:188 or .A:198 or .A:199 or .A:206 or .A:326 or .A:343 or .A:398 or .A:434 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 3'-(Trifluoromethyl)chalcone | Ligand Info | |||||
| Structure Description | Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one | PDB:7B0V | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [17] |
| 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
|
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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 .SKB or .SKB2 or .SKB3 or :3SKB;style chemicals stick;color identity;select .A:60 or .A:102 or .A:103 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(Hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one | Ligand Info | |||||
| Structure Description | Crystal Structure of Monoamine Oxidase B in complex with inhibitor 1 | PDB:7P4F | ||||
| 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
|
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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 .5IK or .5IK2 or .5IK3 or :35IK;style chemicals stick;color identity;select .A:60 or .A:102 or .A:103 or .A:104 or .A:115 or .A:118 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:195 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:328 or .A:341 or .A:343 or .A:398 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR60
3.088
PRO102
3.914
PHE103
3.601
PRO104
4.395
HIS115
3.405
PHE118
4.317
TRP119
3.379
LEU164
3.556
LEU167
4.132
PHE168
3.662
LEU171
3.511
CYS172
3.877
|
|||||
| Ligand Name: 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-[(E)-prop-1-enyl]piperidine | Ligand Info | |||||
| Structure Description | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 1 | PDB:6RKB | ||||
| 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
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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 .K6Q or .K6Q2 or .K6Q3 or :3K6Q;style chemicals stick;color identity;select .A:58 or .A:60 or .A:102 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(E)-prop-1-enyl]piperidine | Ligand Info | |||||
| Structure Description | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 97 | PDB:6RLE | ||||
| 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
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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 .K8B or .K8B2 or .K8B3 or :3K8B;style chemicals stick;color identity;select .A:60 or .A:102 or .A:103 or .A:104 or .A:119 or .A:164 or .A:167 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:316 or .A:326 or .A:343 or .A:398 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Ethylbenzene | Ligand Info | |||||
| Structure Description | Structure of human MAO B in complex with phenyethylhydrazine | PDB:2VRM | ||||
| 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
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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 .PYJ or .PYJ2 or .PYJ3 or :3PYJ;style chemicals stick;color identity;select .A:58 or .A:60 or .A:171 or .A:172 or .A:198 or .A:206 or .A:326 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-Chloro-N-(2-hydroxyethyl)benzamide | Ligand Info | |||||
| Structure Description | HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH N-(2-aminoethyl)-p-chlorobenzamide | PDB:1OJC | ||||
| Method | X-ray diffraction | Resolution | 2.40 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
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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 .LAZ or .LAZ2 or .LAZ3 or :3LAZ;style chemicals stick;color identity;select .A:59 or .A:60 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:296 or .A:326 or .A:343 or .A:398 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (~{e})-~{n}-(Furan-2-Ylmethyl)-~{n}-Methyl-Prop-1-En-1-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of human monoamine oxidase B (MAO B) in complex with N(Furan2ylmethyl)Nmethylprop2yn1amine (F2MPA) | PDB:5MRL | ||||
| Method | X-ray diffraction | Resolution | 2.42 Å | Mutation | No | [19] |
| 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 .F2M or .F2M2 or .F2M3 or :3F2M;style chemicals stick;color identity;select .A:60 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:326 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(E)-Methyl](phenyl)-N-[(E)-2-propenylidene]methanaminium | Ligand Info | |||||
| Structure Description | Human Monoamine Oxidase B | PDB:1GOS | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [20] |
| 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
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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 .NYP or .NYP2 or .NYP3 or :3NYP;style chemicals stick;color identity;select .A:58 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:326 or .A:343 or .A:398 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Benzo[b][1]benziodole | Ligand Info | |||||
| Structure Description | Crystal Structure of human monoamine oxidase B in complex with Diphenylene iodonium (DPI) | PDB:6YT2 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [21] |
| 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 .PJW or .PJW2 or .PJW3 or :3PJW;style chemicals stick;color identity;select .A:60 or .A:168 or .A:171 or .A:172 or .A:198 or .A:199 or .A:206 or .A:326 or .A:328 or .A:341 or .A:343 or .A:398 or .A:435; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 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 2 | 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 3 | Potentiation of ligand binding through cooperative effects in monoamine oxidase B. J Biol Chem. 2010 Nov 19;285(47):36849-56. | ||||
| REF 4 | 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 5 | 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 6 | 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 7 | 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 8 | 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 9 | Structural and mechanistic studies of arylalkylhydrazine inhibition of human monoamine oxidases A and B. Biochemistry. 2008 May 20;47(20):5616-25. | ||||
| REF 10 | 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 11 | 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. | ||||
| REF 12 | 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 13 | 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 14 | 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 15 | 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 16 | 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 17 | Promising Non-cytotoxic Monosubstituted Chalcones to Target Monoamine Oxidase-B. ACS Med Chem Lett. 2021 Jun 14;12(7):1151-1158. | ||||
| REF 18 | Structural and mechanistic studies of mofegiline inhibition of recombinant human monoamine oxidase B. J Med Chem. 2008 Dec 25;51(24):8019-26. | ||||
| REF 19 | 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 20 | 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 21 | Diphenylene Iodonium Is a Noncovalent MAO Inhibitor: A Biochemical and Structural Analysis. ChemMedChem. 2020 Aug 5;15(15):1394-1397. | ||||
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