Structure of PDB 5w3w Chain B Binding Site BS02

Receptor Information
>5w3w Chain B (length=299) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRIPLVGKDSIESKDIGFTLIHEHLRAFSEAVRQQWPHLYNEDEEFRNAV
NEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKATGINLVAGTGIWIYI
DLPFYFLNRSIDEIADLFIHDIKEGIQGTLNKAGFVKIAADEPGITKDVE
KVIRAAAIANKETKVPIITHSNAHNNTGLEQQRILTEEGVDPGKILIGHL
GDTDNIDYIKKIADKGSFIGLDRYGLDMFLPVDKRNETTLRLIKDGYSDK
IMISHDYCLAPRWSITLIFEDTIPFLKRNGVNEEVIATIFKENPKKFFS
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 chain5w3w Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5w3w Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		K137 H170 H199
Binding residue
(residue number reindexed from 1)		K137 H170 H199
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H22 H24 K137 H170 H199 D202 R223 D256
Catalytic site (residue number reindexed from 1) H22 H24 K137 H170 H199 D202 R223 D256
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5w3w, PDBe:5w3w, PDBj:5w3w
PDBsum5w3w
PubMed29196634
UniProtQ97VT7|PHP_SACS2 Aryldialkylphosphatase (Gene Name=php)

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