Structure of PDB 4gdm Chain B Binding Site BS02

Receptor Information
>4gdm Chain B (length=258) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVPRGSMILHAQAKHGKPGLPWLVFLHGFSGDCHEWQEVGEAFADYSRLY
VDLPGHGGSAAISVDGFDDVTDLLRKTLVSYNILDFWLVGYSLGGRVAMM
AACQGLAGLCGVIVEGGHPGLQNAEQRAERQRSDRQWVQRFLTEPLTAVF
ADWYQQPVFASLNDDQRRELVALRSNNNGATLAAMLEATSLAVQPDLRAN
LSARTFAFYYLCGERDSKFRALAAELAADCHVIPRAGHNAHRENPAGVIA
SLAQILRF
Ligand information
Ligand IDCL
InChIInChI=1S/ClH/h1H/p-1
InChIKeyVEXZGXHMUGYJMC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cl-]
FormulaCl
NameCHLORIDE ION
ChEMBL
DrugBankDB14547
ZINC
PDB chain4gdm Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4gdm Crystal Structures of E. coli Native MenH and Two Active Site Mutants.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		Y85 Y148
Binding residue
(residue number reindexed from 1)		Y91 Y154
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.99.20: 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0070205 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase activity
Biological Process
GO:0009234 menaquinone 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:4gdm, PDBe:4gdm, PDBj:4gdm
PDBsum4gdm
PubMed23637813
UniProtP37355|MENH_ECOLI 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase (Gene Name=menH)

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