Structure of PDB 4zst Chain A Binding Site BS01

Receptor Information
>4zst Chain A (length=329) Species: 293 (Brevundimonas diminuta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRKALAEKAV
RGLRRARAAGVRTIVDVSTFDCGRDVSLLAEVSRAADVHIVAATGLWVDP
PLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATTGKATPFQELVL
KAAARASLATGVPVTTHTAASQRDGEQQAAIFESEGLSPSRVCIGHSDDT
DDLSYLTALAARGYLIGLDQIPYSAIGLEDNASASVLMGNRSWQTRALLI
KALIDQGYMKQILVSNDWLFGFSLYVTNIMDVMDRVNPDGMAFIPLRVIP
FLREKGVPQETLAGITVTNPARFLSPTLR
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain4zst Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zst Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR.
Resolution2.011 Å
Binding residue
(original residue number in PDB)		H55 H57 K169 D301
Binding residue
(residue number reindexed from 1)		H21 H23 K135 D267
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H55 H57 K169 H201 H230 D233 Q254 D301
Catalytic site (residue number reindexed from 1) H21 H23 K135 H167 H196 D199 Q220 D267
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:4zst, PDBe:4zst, PDBj:4zst
PDBsum4zst
PubMed26274608
UniProtP0A434|OPD_BREDI Parathion hydrolase (Gene Name=opd)

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