Structure of PDB 2ahc Chain D Binding Site BS01

Receptor Information
>2ahc Chain D (length=164) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHPALTQLRALRYSKEIPALDPQLLDWLLLEDSMTKRFEQQGKTVSVTMI
REGFVEQNEIPEELPLLPKESRYWLREILLSADGEPWLAGRTVVPVSTLS
GPELALQKLGKTPLGRYLFTSSTLTRDFIEIGRDAGLWGRRSRLRLSGKP
LLLTELFLPASPLY
Ligand information
Ligand IDVNL
InChIInChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1
InChIKeyWKOLLVMJNQIZCI-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 12.01[O-]C(=O)c1cc(OC)c(O)cc1
OpenEye OEToolkits 1.7.0COc1cc(ccc1O)C(=O)[O-]
CACTVS 3.370COc1cc(ccc1O)C([O-])=O
FormulaC8 H7 O4
Name4-HYDROXY-3-METHOXYBENZOATE;
vanillate
ChEMBL
DrugBankDB02130
ZINC
PDB chain2ahc Chain D Residue 466 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ahc Structural analysis of ligand binding and catalysis in chorismate lyase
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R76 I78 P113 L114 L153 E155
Binding residue
(residue number reindexed from 1)		R76 I78 P113 L114 L153 E155
Annotation score2
Enzymatic activity
Enzyme Commision number 4.1.3.40: chorismate lyase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008813 chorismate lyase activity
GO:0016829 lyase activity
Biological Process
GO:0006744 ubiquinone biosynthetic process
GO:0042866 pyruvate 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:2ahc, PDBe:2ahc, PDBj:2ahc
PDBsum2ahc
PubMed16343413
UniProtP26602|UBIC_ECOLI Chorismate pyruvate-lyase (Gene Name=ubiC)

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