Structure of PDB 3ve7 Chain A Binding Site BS01

Receptor Information
>3ve7 Chain A (length=206) Species: 399549 (Metallosphaera sedula DSM 5348) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNRVILSLDSPIPEETLRKLNGKVAGIKVGWPLLLNLGKEKVKELVGLVD
GIKILDLKLADIDNTMILIVDELKDITNSFIAHAFVGVEGSLASLSQRVD
LFLVLSMSHPGWNDAFYPYLREVARRVNPKGFVAPATRPSMISRVKGDFP
DKLVISPGVGTQGAKPGIALCHGADYEIVGRSVYQSADPVRKLEEIVRSQ
EEVLSS
Ligand information
Ligand IDBMP
InChIInChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,13-15H,2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
InChIKeyUDOBICLZEKUKCV-YXZULKJRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.5.0C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2O
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2O
ACDLabs 10.04O=C1NC(=O)N(C(O)=C1)C2OC(C(O)C2O)COP(=O)(O)O
FormulaC9 H13 N2 O10 P
Name6-HYDROXYURIDINE-5'-PHOSPHATE
ChEMBLCHEMBL383923
DrugBankDB02890
ZINCZINC000024479522
PDB chain3ve7 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ve7 Crystal structure of orotidine 5'-monophosphate decarboxylase from Metallosphaera sedula complexed with inhibitor BMP
Resolution1.539 Å
Binding residue
(original residue number in PDB)		S7 D9 K58 M107 S108 P157 Q162 G180 R181
Binding residue
(residue number reindexed from 1)		S7 D9 K58 M107 S108 P157 Q162 G180 R181
Annotation score3
Enzymatic activity
Enzyme Commision number 4.1.1.23: orotidine-5'-phosphate decarboxylase.
Gene Ontology
Molecular Function
GO:0004590 orotidine-5'-phosphate decarboxylase activity
GO:0016831 carboxy-lyase activity
Biological Process
GO:0006207 'de novo' pyrimidine nucleobase biosynthetic process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0044205 'de novo' UMP biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ve7, PDBe:3ve7, PDBj:3ve7
PDBsum3ve7
PubMed
UniProtA4YI54

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