2025-10-18_00000166
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ligand
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9HDY
Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with 2'-Thiouridine-5'-monophosphate (USP);
X-ray diffraction 1.60Å
Protein #1
258 residues (100% resolved)
Raw Sequence ...
MELSFGARAELPRIHPVASKLLRLMQKKETNLCLSADVSLARELLQLADALGPSICMLKTHVDILNDFTLDVMKELITLAK(CSS)HEFLIFEDRKFADIGNTVKKQYEGGIFKIASWADLVNAHVVPGSGVVKGLQEVGLPLHRGCLLIAEMSSTGSLATGDYTRAAVRMAEEHSEFVVGFISGSRVSMKPEFLHLTPGVQLEAGGDNLGQQYNSPQEVIGKRGSDIIIVGRGIISAADRLEAAEMYRKAAWEAYLSRLGV
Canonical Sequence ...
MELSFGARAELPRIHPVASKLLRLMQKKETNLCLSADVSLARELLQLADALGPSICMLKTHVDILNDFTLDVMKELITLAKCHEFLIFEDRKFADIGNTVKKQYEGGIFKIASWADLVNAHVVPGSGVVKGLQEVGLPLHRGCLLIAEMSSTGSLATGDYTRAAVRMAEEHSEFVVGFISGSRVSMKPEFLHLTPGVQLEAGGDNLGQQYNSPQEVIGKRGSDIIIVGRGIISAADRLEAAEMYRKAAWEAYLSRLGV
Non polymer #2
A1IT3
InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(14)10-5)8-7(21)6(13)4(19-8)3-18-20(15,16)17/h1-2,4,6-8,13,21H,3H2,(H,10,12,14)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(14)10-5)8-7(21)6(13)4(19-8)3-18-20(15,16)17/h1-2,4,6-8,13,21H,3H2,(H,10,12,14)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)S
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)S
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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