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 | Clorgyline | Ligand Info | |||
| Canonical SMILES | CN(CCCOC1=C(C=C(C=C1)Cl)Cl)CC#C | ||||
| InChI | 1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3 | ||||
| InChIKey | BTFHLQRNAMSNLC-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 4380 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2BXR Human Monoamine Oxidase A in complex with Clorgyline, Crystal Form A | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
HMFDVVVIGG
21 GISGLSAAKL31 LTEYGVSVLV41 LEARDRVGGR51 TYTIRNEHVD61 YVDVGGAYVG 71 PTQNRILRLS81 KELGIETYKV91 NVSERLVQYV101 KGKTYPFRGW116 NPIAYLDYNN 126 LWRTIDNMGK136 EIPTDAPWEA146 QHADKWDKMT156 MKELIDKICW166 TKTARRFAYL 176 FVNINVTSEP186 HEVSALWFLW196 YVKQCGGTTR206 IFSVGQERKF219 VGGSGQVSER 229 IMDLLGDQVK239 LNHPVTHVDQ249 SSDNIIIETL259 NHEHYECKYV269 INAIPPTLTA 279 KIHFRPELPA289 ERNQLIQRLP299 MGAVIKCMMY309 YKEAFWKKKD319 YCGCMIIEDE 329 DAPISITLDD339 TKPDGSLPAI349 MGFILARKAD359 RLAKLHKEIR369 KKKICELYAK 379 VLGSQEALHP389 VHYEEKNWCE399 EQYSGGCYTA409 YFPPGIMTQY419 GRVIRQPVGR 429 IFFAGTETAT439 KWSGYMEGAV449 EAGERAAREV459 LNGLG
|
|||||
|
|
||||||
| PDB ID: 2BXS Human Monoamine Oxidase A in complex with Clorgyline, Crystal Form B | ||||||
| Method | X-ray diffraction | Resolution | 3.15 Å | Mutation | No | [1] |
| PDB Sequence |
HMFDVVVIGG
21 GISGLSAAKL31 LTEYGVSVLV41 LEARDRVGGR51 TYTIRNEHVD61 YVDVGGAYVG 71 PTQNRILRLS81 KELGIETYKV91 NVSERLVQYV101 KGKTYPFRGW116 NPIAYLDYNN 126 LWRTIDNMGK136 EIPTDAPWEA146 QHADKWDKMT156 MKELIDKICW166 TKTARRFAYL 176 FVNINVTSEP186 HEVSALWFLW196 YVKQCGGTTR206 IFSVTNGGQE216 RKFVGGSGQV 226 SERIMDLLGD236 QVKLNHPVTH246 VDQSSDNIII256 ETLNHEHYEC266 KYVINAIPPT 276 LTAKIHFRPE286 LPAERNQLIQ296 RLPMGAVIKC306 MMYYKEAFWK316 KKDYCGCMII 326 EDEDAPISIT336 LDDTKPDGSL346 PAIMGFILAR356 KADRLAKLHK366 EIRKKKICEL 376 YAKVLGSQEA386 LHPVHYEEKN396 WCEEQYSGGC406 YTAYFPPGIM416 TQYGRVIRQP 426 VGRIFFAGTE436 TATKWSGYME446 GAVEAGERAA456 REVLNGLGKV466 TEKDIWVQEP 476 ESKDVPAVEI486 THTFWERNLP496 SVSGLLKIIG506
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 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. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.