Structure of PDB 2v5k Chain B Binding Site BS02

Receptor Information
>2v5k Chain B (length=260) Species: 498388 (Escherichia coli C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TENLYFQGAMENSFKAALKAGRPQIGLWLGLSSSYSAELLAGAGFDWLLI
DGEHAPNNVQTVLTQLQAIAPYPSQPVVRPSWNDPVQIKQLLDVGTQTLL
VPMVQNADEAREAVRATRYPPAGIRGVGSALARASRWNRIPDYLQKANDQ
MCVLVQIETREAMKNLPQILDVEGVDGVFIGPADLSADMGYAGNPQHPEV
QAAIEQAIVQIRESGKAPGILIANEQLAKRYLELGALFVAVGVDTTLLAR
AAEALAARFG
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2v5k 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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PDB2v5k Structure and Mechanism of Hpch: A Metal Ion Dependent Class II Aldolase from the Homoprotocatechuate Degradation Pathway of Escherichia Coli.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E149 D175
Binding residue
(residue number reindexed from 1)		E158 D184
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H45 R70 D84 E149 D175
Catalytic site (residue number reindexed from 1) H54 R79 D93 E158 D184
Enzyme Commision number 4.1.2.52: 4-hydroxy-2-oxoheptanedioate aldolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016832 aldehyde-lyase activity
GO:0043863 4-hydroxy-2-ketopimelate aldolase activity
GO:0046872 metal ion binding
Biological Process
GO:0009056 catabolic process
GO:0010124 phenylacetate catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2v5k, PDBe:2v5k, PDBj:2v5k
PDBsum2v5k
PubMed17881002
UniProtQ47098|HPCH_ECOLX 4-hydroxy-2-oxo-heptane-1,7-dioate aldolase (Gene Name=hpcH)

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