Structure of PDB 6ffw Chain A Binding Site BS01

Receptor Information
>6ffw Chain A (length=330) Species: 293 (Brevundimonas diminuta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISEDRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRAALVE
KAVRGLRRARAAGVRTIVDVSTFDAGRDVSLLAEVSRAADVHIVAATGLW
EDPPLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATQGKATPFQE
LVLRAAARASLATGVPVTTHTFASQRDGEQQAAIFESEGLSPSRVCIGHS
DDTDDLSYLTALAARGYLIGLDGIPHSAIGLEDNASASALLGNRSWQTRA
LLIKALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDSVNPDGMAFIPLR
VIPFLREKGVPQETLAGITVTNPARFLSPT
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 chain6ffw 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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PDB6ffw Phosphotriesterase PTE_A53_5
Resolution1.495 Å
Binding residue
(original residue number in PDB)		H55 H57 D301
Binding residue
(residue number reindexed from 1)		H24 H26 D270
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H55 H57 K169 H201 H230 D233 G254 D301
Catalytic site (residue number reindexed from 1) H24 H26 K138 H170 H199 D202 G223 D270
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:6ffw, PDBe:6ffw, PDBj:6ffw
PDBsum6ffw
PubMed
UniProtP0A434|OPD_BREDI Parathion hydrolase (Gene Name=opd)

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