Structure of PDB 4e3t Chain A Binding Site BS02

Receptor Information
>4e3t Chain A (length=327) Species: 293 (Brevundimonas diminuta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RINTVRGPITISEVGFTLTHEHICGSSAGFLRAWPEFFGSREALVEKAVR
GLRRARAAGVRTIVDVSTFDLGRDVRLLAEVSRAADVHIVAATGVWLDPP
LSIRMRSVEELTQFFLREIQYGIEDTGIRAGIIKVAITGKVTPFQELVLR
AAARASLATGVPVITHTAGSQRGGEQQAAIFESEGLSPSRVCIGHSDETD
DLSYLTALAARGYLIGLDRIPHSAIGLEDNASATAFMGSRSWQTRALLIK
ALIDQGYMKQILVSNDWLFGISSYVTNFMDVMDSVNPDGMAFIPLRVIPF
LREKGIPQETLAGITVTNPARFLSPTL
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 chain4e3t Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4e3t Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme
Resolution1.65 Å
Binding residue
(original residue number in PDB)		H201 H230
Binding residue
(residue number reindexed from 1)		H166 H195
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H55 H57 K169 H201 H230 E233 R254 D301
Catalytic site (residue number reindexed from 1) H20 H22 K134 H166 H195 E198 R219 D266
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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Cellular Component
External links
PDB RCSB:4e3t, PDBe:4e3t, PDBj:4e3t
PDBsum4e3t
PubMed23212386
UniProtP0A434|OPD_BREDI Parathion hydrolase (Gene Name=opd)

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