Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T40787 | Target Info | |||
| Target Name | S-methyl-5'-thioadenosine phosphorylase (MTAP) | ||||
| Synonyms | Methylthioadenosine phosphorylase; MTAPase; MTA phosphorylase; MSAP; 5'-methylthioadenosine phosphorylase | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | MTAP | ||||
| Biochemical Class | Glycosyltransferases | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (3r,4s)-1-[(4-Amino-5h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]-4-{[(4-Chlorophenyl)sulfanyl]methyl}pyrrolidin-3-Ol | Ligand Info | |||
| Canonical SMILES | C1C(C(CN1CC2=CNC3=C2N=CN=C3N)O)CSC4=CC=C(C=C4)Cl | ||||
| InChI | 1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)/t12-,15+/m1/s1 | ||||
| InChIKey | MZZBHZOHYGEGEE-DOMZBBRYSA-N | ||||
| PubChem Compound ID | 9952319 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3OZC Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase in complex with pCl-phenylthioDADMeImmA | ||||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [1] |
| PDB Sequence |
AVKIGIIGGT
18 GLDDPEILEG28 RTEKYVDTPF38 GKPSDALILG48 KIKNVDCVLL58 ARHGRQHTIM 68 PSKVNYQANI78 WALKEEGCTH88 VIVTTACGSL98 REEIQPGDIV108 IIDQFIDRTT 118 MRPQSFYDGS128 HSCARGVCHI138 PMAEPFCPKT148 REVLIETAKK158 LGLRCHSKGT 168 MVTIEGPRFS178 SRAESFMFRT188 WGADVINMTT198 VPEVVLAKEA208 GICYASIAMA 218 TDYDCWKEHE228 EAVSVDRVLK238 TLKENANKAK248 SLLLTTIPQI258 GSTEWSETLH 268 NLKNMAQFSV278 LLP
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| PDB ID: 3OZD Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase in complex with pCl-phenylthioDADMeImmA | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [2] |
| PDB Sequence |
AVKIGIIGGT
18 GLDDPEILEG28 RTEKYVDTPF38 GKPSDALILG48 KIKNVDCVLL58 ARHGRQHTIM 68 PSKVNYQANI78 WALKEEGCTH88 VIVTTACGSL98 REEIQPGDIV108 IIDQFIDRTT 118 MRPQSFYDGS128 HSCARGVCHI138 PMAEPFCPKT148 REVLIETAKK158 LGLRCHSKGT 168 MVTIEGPRFS178 SRAESFMFRT188 WGADVINMTT198 VPEVVLAKEA208 GICYASIAMA 218 TDYDCWKEHE228 EAVSVDRVLK238 TLKENANKAK248 SLLLTTIPQI258 GSTEWSETLH 268 NLKNMAQFSV278 LLP
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase | ||||
| REF 2 | Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase | ||||
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