Structure of PDB 1oro Chain A Binding Site BS01

Receptor Information
>1oro Chain A (length=213) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKPYQRQFIEFALSKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLG
RFYAEALVDSGIEFDLLFGPAYKGIPIATTTAVALAEHHDLDLPYCFNRK
EAKDHGEGGNLVGSALQGRVMLVDDVITAGTAIRESMEIIQANGATLAGV
LISLDRQERGRGEISAIQEVERDYNCKVISIITLKDLIAYLEEKPEMAEH
LAAVKAYREEFGV
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1oro Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1oro A flexible loop at the dimer interface is a part of the active site of the adjacent monomer of Escherichia coli orotate phosphoribosyltransferase.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		A71 Y72 K73 K100
Binding residue
(residue number reindexed from 1)		A71 Y72 K73 K100
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K103 H105
Catalytic site (residue number reindexed from 1) K103 H105
Enzyme Commision number 2.4.2.10: orotate phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004588 orotate phosphoribosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0006207 'de novo' pyrimidine nucleobase biosynthetic process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0044205 'de novo' UMP biosynthetic process
GO:0046132 pyrimidine ribonucleoside biosynthetic process
GO:0055086 nucleobase-containing small molecule metabolic process
GO:0072528 pyrimidine-containing compound biosynthetic process
Cellular Component
GO:0005737 cytoplasm
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:1oro, PDBe:1oro, PDBj:1oro
PDBsum1oro
PubMed8620002
UniProtP0A7E3|PYRE_ECOLI Orotate phosphoribosyltransferase (Gene Name=pyrE)

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