Structure of PDB 4muz Chain A Binding Site BS02

Receptor Information
>4muz Chain A (length=212) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMKQLILALDVMDGEKAMEIAKKVAEHVDRIKVNYPLVLSAGVGIMKR
LSEIKPVIADFKIADVPYTSSLIARIAFENSAESVIVHGFVGSDTLREVC
RVAEEFGGKVYAVTELSSPGGEEFMSAVSLKIVEKAKEAGCHGLIAPSTR
IERLREIRKAAGDMEILCPGIGAQKGSIEAVKYADGIIVGRGIYASGNPA
EEARKLRRVLKI
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 chain4muz Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4muz Crystal structure of orotidine 5'-monophosphate decarboxylase from Archaeoglobus fulgidus complexed with inhibitor BMP
Resolution1.39 Å
Binding residue
(original residue number in PDB)		D82 V83 T86
Binding residue
(residue number reindexed from 1)		D65 V66 T69
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) Y54 P55 K79 D82 V83 I90 Y128 E151 K154
Catalytic site (residue number reindexed from 1) Y37 P38 K62 D65 V66 I73 Y111 E134 K137
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:4muz, PDBe:4muz, PDBj:4muz
PDBsum4muz
PubMed
UniProtO29333|PYRF_ARCFU Orotidine 5'-phosphate decarboxylase (Gene Name=pyrF)

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