Structure of PDB 2zoa Chain B Binding Site BS03

Receptor Information
>2zoa Chain B (length=271) Species: 548 (Klebsiella aerogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLLAHISDTHFRSRGEKLYGFIDVNAANADVVSQLNALRERPDAVVVSGD
IVNCGRPEEYQVARQILGSLNYPLYLIPGNHDDKALFLEYLQPLCPQLGS
DANNMRCAVDDFATRLLFIDSSRAGTSKGWLTDETISWLEAQLFEGGDKP
ATIFMHHPPLPLGNAQMDPIACENGHRLLALVERFPSLTRIFCGHNHSLT
MTQYRQALISTLPGTVHQVPYCHADTDPYYDLSPASCLMHRQVGEQWVSY
QHSLAHYAGPWLYDENISCPT
Ligand information
Ligand IDMLI
InChIInChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
InChIKeyOFOBLEOULBTSOW-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]C(=O)CC([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)[O-])C(=O)[O-]
FormulaC3 H2 O4
NameMALONATE ION
ChEMBL
DrugBankDB02201
ZINC
PDB chain2zoa Chain B Residue 277 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zoa Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) and characterization of the native Fe2+ metal-ion preference.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H10 N80 H81 H195
Binding residue
(residue number reindexed from 1)		H10 N80 H81 H195
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.46: glycerophosphodiester phosphodiesterase.
Gene Ontology
Molecular Function
GO:0004112 cyclic-nucleotide phosphodiesterase activity
GO:0004115 3',5'-cyclic-AMP phosphodiesterase activity
GO:0008889 glycerophosphodiester phosphodiesterase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006071 glycerol metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2zoa, PDBe:2zoa, PDBj:2zoa
PDBsum2zoa
PubMed18678932
UniProtQ6XBH1|GPDQ_KLEAE Glycerophosphodiester phosphodiesterase GpdQ (Gene Name=gpdQ)

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