Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T42337 | Target Info | |||
| Target Name | Methionyl aminopeptidase 1 (METAP1) | ||||
| Synonyms | Peptidase M 1; Methionine aminopeptidase 1; MetAP 1; MAP 1; KIAA0094 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | METAP1 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (1r,2s,3s,4r)-4-Hydroxy-2-Methoxy-4-Methyl-3-[(2r,3r)-2-Methyl-3-(3-Methylbut-2-En-1-Yl)oxiran-2-Yl]cyclohexyl (Chloroacetyl)carbamate | Ligand Info | |||
| Canonical SMILES | CC(=CCC1C(O1)(C)C2C(C(CCC2(C)O)OC(=O)NC(=O)CCl)OC)C | ||||
| InChI | 1S/C19H30ClNO6/c1-11(2)6-7-13-19(4,27-13)16-15(25-5)12(8-9-18(16,3)24)26-17(23)21-14(22)10-20/h6,12-13,15-16,24H,7-10H2,1-5H3,(H,21,22,23)/t12-,13-,15-,16+,18-,19+/m1/s1 | ||||
| InChIKey | OUUSPVSSNHLIGE-AGYLCKTBSA-N | ||||
| PubChem Compound ID | 5326425 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5YR6 Human methionine aminopeptidase type 1b (F309L mutant) in complex with TNP470 | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [1] |
| PDB Sequence |
YRYTGKLRPH
99 YPLMPTRPVP109 SYIQRPDYAD119 HPLGMSESEQ129 ALKGTSQIKL139 LSSEDIEGMR 149 LVCRLAREVL159 DVAAGMIKPG169 VTTEEIDHAV179 HLACIARNCY189 PSPLNYYNFP 199 KSCCTSVNEV209 ICHGIPDRRP219 LQEGDIVNVD229 ITLYRNGYHG239 DLNETFFVGE 249 VDDGARKLVQ259 TTYECLMQAI269 DAVKPGVRYR279 ELGNIIQKHA289 QANGFSVVRS 299 YCGHGIHKLL309 HTAPNVPHYA319 KNKAVGVMKS329 GHVFTIEPMI339 CEGGWQDETW 349 PDGWTAVTRD359 GKRSAQFEHT369 LLVTDTGCEI379 LTRRLDSARP389 HFMS |
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| PDB ID: 5YR4 Human methionine aminopeptidase type 1b (F309M mutant) in complex with TNP470 | ||||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | Yes | [1] |
| PDB Sequence |
YRYTGKLRPH
99 YPLMPTRPVP109 SYIQRPDYAD119 HPLGMSESEQ129 ALKGTSQIKL139 LSSEDIEGMR 149 LVCRLAREVL159 DVAAGMIKPG169 VTTEEIDHAV179 HLACIARNCY189 PSPLNYYNFP 199 KSCCTSVNEV209 ICHGIPDRRP219 LQEGDIVNVD229 ITLYRNGYHG239 DLNETFFVGE 249 VDDGARKLVQ259 TTYECLMQAI269 DAVKPGVRYR279 ELGNIIQKHA289 QANGFSVVRS 299 YCGHGIHKLM309 HTAPNVPHYA319 KNKAVGVMKS329 GHVFTIEPMI339 CEGGWQDETW 349 PDGWTAVTRD359 GKRSAQFEHT369 LLVTDTGCEI379 LTRRLDSARP389 HFMS |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of natural product ovalicin sensitive type 1 methionine aminopeptidases: molecular and structural basis. Biochem J. 2019 Mar 22;476(6):991-1003. | ||||
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