Structure of PDB 5wcq Chain A Binding Site BS02

Receptor Information
>5wcq Chain A (length=314) Species: 293 (Brevundimonas diminuta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRKALAEKAV
RGLRRARAAGVRTIVDVSTFDLGRDVSLLAEVSRAADVHIVAATGLWLDP
PLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATTGKVTPFQELVL
RAAARASLATGVPVTTHTAASQRGGEQQAAIFESEGLSPSRVCIGHSDDT
DDLSYLTALAARGYLIGLDSIPHSIRSWQTRALLIKALIDQGYTKQILVS
NDWLFGISSYVTNIMDVMDSVNPDGMAFIPLRVIPFLREKGIPQETLAGI
TVTNPARFLSPTLR
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5wcq Chain A Residue 2402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5wcq Phosphotriesterase variant S2
Resolution1.576 Å
Binding residue
(original residue number in PDB)		K169 H201 H230
Binding residue
(residue number reindexed from 1)		K135 H167 H196
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H55 H57 K169 H201 H230 D233 S254 D301
Catalytic site (residue number reindexed from 1) H21 H23 K135 H167 H196 D199 S220 D252
Enzyme Commision number 3.1.8.1: aryldialkylphosphatase.
Gene Ontology
Molecular Function
GO:0004063 aryldialkylphosphatase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0046872 metal ion binding
Biological Process
GO:0009056 catabolic process
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5wcq, PDBe:5wcq, PDBj:5wcq
PDBsum5wcq
PubMed
UniProtP0A434|OPD_BREDI Parathion hydrolase (Gene Name=opd)

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