Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T15851 | Target Info | |||
| Target Name | Orotidine 5'-monophosphate decarboxylase (UMPS) | ||||
| Synonyms | Uridine 5'-monophosphate synthase; UMP synthase | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | UMPS | ||||
| Biochemical Class | Pentosyltransferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | S,S-(2-Hydroxyethyl)Thiocysteine | Ligand Info | |||
| Canonical SMILES | C(CSSCC(C(=O)O)N)O | ||||
| InChI | 1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1 | ||||
| InChIKey | YPUBRSXDQSFQBA-BYPYZUCNSA-N | ||||
| PubChem Compound ID | 170018 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3EWY K314A mutant of human orotidyl-5'-monophosphate decarboxylase soaked with OMP, decarboxylated to UMP | ||||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | Yes | [1] |
| PDB Sequence |
MELSFGARAE
232 LPRIHPVASK242 LLRLMQKKET252 NLCLSADVSL262 ARELLQLADA272 LGPSICMLKT 282 HVDILNDFTL292 DVMKELITLA302 KHEFLIFEDR313 AFADIGNTVK323 KQYEGGIFKI 333 ASWADLVNAH343 VVPGSGVVKG353 LQEVGLPLHR363 GCLLIAEMSS373 TGSLATGDYT 383 RAAVRMAEEH393 SEFVVGFISG403 SRVSMKPEFL413 HLTPGVQLEA423 GGDNLGQQYN 433 SPQEVIGKRG443 SDIIIVGRGI453 ISAADRLEAA463 EMYRKAAWEA473 YLSRLG |
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| PDB ID: 3EWX K314A mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-UMP, degraded to BMP | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | Yes | [1] |
| PDB Sequence |
MELSFGARAE
232 LPRIHPVASK242 LLRLMQKKET252 NLCLSADVSL262 ARELLQLADA272 LGPSICMLKT 282 HVDILNDFTL292 DVMKELITLA302 KHEFLIFEDR313 AFADIGNTVK323 KQYEGGIFKI 333 ASWADLVNAH343 VVPGSGVVKG353 LQEVGLPLHR363 GCLLIAEMSS373 TGSLATGDYT 383 RAAVRMAEEH393 SEFVVGFISG403 SRVSMKPEFL413 HLTPGVQLEA423 GGDNLGQQYN 433 SPQEVIGKRG443 SDIIIVGRGI453 ISAADRLEAA463 EMYRKAAWEA473 YLSRLG |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase. Chemistry. 2009 Jul 6;15(27):6619-25. | ||||
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