Structure of PDB 2qvh Chain B Binding Site BS02

Receptor Information
>2qvh Chain B (length=311) Species: 269800 (Thermobifida fusca YX) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLTGRAFAIPLRTRFRGITVREGMLVRGAAGWGEFSPFAEYGPRECARWW
AACYEAAELGWPAPVRDTVPVNATVPAVGPEEAARIVASSGCTTAKVKVA
ERGQSEANDVARVEAVRDALGPRGRVRIDVNGAWDVDTAVRMIRLLDRFE
LEYVEQPCATVDELAEVRRRVSVPIAADESIRRAEDPLRVRDAEAADVVV
LKVQPLGGVRAALRLAEECGLPVVVSSAVETSVGLAAGVALAAALPELPY
ACGLATLRLLHADVCDDPLLPVHGVLPVRRVDVSEQRLAEVEIDPAAWQA
RLAAARAAWEQ
Ligand information
Ligand IDOSB
InChIInChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKeyYIVWQNVQRXFZJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1ccccc1C(=O)CCC(=O)O
CACTVS 3.341OC(=O)CCC(=O)c1ccccc1C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O
FormulaC11 H10 O5
Name2-SUCCINYLBENZOATE;
O-SUCCINYLBENZOATE
ChEMBL
DrugBankDB02251
ZINC
PDB chain2qvh Chain B Residue 5551 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2qvh Crystal structure of O-succinylbenzoate synthase complexed with O-succinyl benzoate.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		T75 K97 D130 D179 K203 S227 S228 V230 G254
Binding residue
(residue number reindexed from 1)		T74 K96 D129 D178 K202 S226 S227 V229 G253
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T75 K97 K99 D130 E156 D179 E180 V200 K203 S228 A229 G254
Catalytic site (residue number reindexed from 1) T74 K96 K98 D129 E155 D178 E179 V199 K202 S227 A228 G253
Enzyme Commision number 4.2.1.113: o-succinylbenzoate synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016836 hydro-lyase activity
GO:0043748 O-succinylbenzoate synthase activity
GO:0046872 metal ion binding
Biological Process
GO:0009063 amino acid catabolic process
GO:0009234 menaquinone biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2qvh, PDBe:2qvh, PDBj:2qvh
PDBsum2qvh
PubMed
UniProtQ47Q21|MENC_THEFY o-succinylbenzoate synthase (Gene Name=menC)

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