Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T83875 | Target Info | |||
| Target Name | Monoamine oxidase type A (MAO-A) | ||||
| Synonyms | Monoamine oxidase A; Amine oxidase [flavin-containing] A | ||||
| Target Type | Successful Target | ||||
| Gene Name | MAOA | ||||
| Biochemical Class | CH-NH(2) donor oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Harmine | Ligand Info | |||
| Canonical SMILES | CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC | ||||
| InChI | 1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 | ||||
| InChIKey | BXNJHAXVSOCGBA-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 5280953 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2Z5Y Crystal Structure of Human Monoamine Oxidase A (G110A) with Harmine | ||||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | Yes | [1] |
| PDB Sequence |
HMFDVVVIGG
21 GISGLSAAKL31 LTEYGVSVLV41 LEARDRVGGR51 TYTIRNEHVD61 YVDVGGAYVG 71 PTQNRILRLS81 KELGIETYKV91 NVSERLVQYV101 KGKTYPFRAA111 FPPVWNPIAY 121 LDYNNLWRTI131 DNMGKEIPTD141 APWEAQHADK151 WDKMTMKELI161 DKICWTKTAR 171 RFAYLFVNIN181 VTSEPHEVSA191 LWFLWYVKQC201 GGTTRIFSVT211 NGGQERKFVG 221 GSGQVSERIM231 DLLGDQVKLN241 HPVTHVDQSS251 DNIIIETLNH261 EHYECKYVIN 271 AIPPTLTAKI281 HFRPELPAER291 NQLIQRLPMG301 AVIKCMMYYK311 EAFWKKKDYC 321 GCMIIEDEDA331 PISITLDDTK341 PDGSLPAIMG351 FILARKADRL361 AKLHKEIRKK 371 KICELYAKVL381 GSQEALHPVH391 YEEKNWCEEQ401 YSGGCYTAYF411 PPGIMTQYGR 421 VIRQPVGRIF431 FAGTETATKW441 SGYMEGAVEA451 GERAAREVLN461 GLGKVTEKDI 471 WVQEPESKDV481 PAVEITHTFW491 ERNLPSVSGL501 LKIIGFSTSV511 TALGFVLYKY 521 KLL
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| PDB ID: 2Z5X Crystal Structure of Human Monoamine Oxidase A with Harmine | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
| PDB Sequence |
HMFDVVVIGG
21 GISGLSAAKL31 LTEYGVSVLV41 LEARDRVGGR51 TYTIRNEHVD61 YVDVGGAYVG 71 PTQNRILRLS81 KELGIETYKV91 NVSERLVQYV101 KGKTYPFRGA111 FPPVWNPIAY 121 LDYNNLWRTI131 DNMGKEIPTD141 APWEAQHADK151 WDKMTMKELI161 DKICWTKTAR 171 RFAYLFVNIN181 VTSEPHEVSA191 LWFLWYVKQC201 GGTTRIFSVT211 NGGQERKFVG 221 GSGQVSERIM231 DLLGDQVKLN241 HPVTHVDQSS251 DNIIIETLNH261 EHYECKYVIN 271 AIPPTLTAKI281 HFRPELPAER291 NQLIQRLPMG301 AVIKCMMYYK311 EAFWKKKDYC 321 GCMIIEDEDA331 PISITLDDTK341 PDGSLPAIMG351 FILARKADRL361 AKLHKEIRKK 371 KICELYAKVL381 GSQEALHPVH391 YEEKNWCEEQ401 YSGGCYTAYF411 PPGIMTQYGR 421 VIRQPVGRIF431 FAGTETATKW441 SGYMEGAVEA451 GERAAREVLN461 GLGKVTEKDI 471 WVQEPESKDV481 PAVEITHTFW491 ERNLPSVSGL501 LKIIGFSTSV511 TALGFVLYKY 521 KLL
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of human monoamine oxidase A at 2.2-A resolution: the control of opening the entry for substrates/inhibitors. Proc Natl Acad Sci U S A. 2008 Apr 15;105(15):5739-44. | ||||
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