Structure of PDB 5wms Chain S Binding Site BS01

Receptor Information
>5wms Chain S (length=314) Species: 293 (Brevundimonas diminuta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRKALAEKA
VRGLRRARAAGVRTIVDVSTFDLGRDVSLLAEVSRAADVHIVAATGLWLD
PPLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATTGKVTPFQELV
LRAAARASLATGVPVTTHTAASQRGGEQQAAILESEGLSPSRVCIGHSDA
ADDLSYLTALAARGYLIGLDSIPHSASWQTRALLIKALIDQGYTKQILVS
NDWLFGISSYVTNIMDVMDSGNPDGMAFIPLRVIPFLREKGIPQETLAGI
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 chain5wms Chain S Residue 2401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5wms Phosphotriesterase variant S7
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H55 H57 K169 D301
Binding residue
(residue number reindexed from 1)		H22 H24 K136 D252
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H55 H57 K169 H201 H230 A233 S254 D301
Catalytic site (residue number reindexed from 1) H22 H24 K136 H168 H197 A200 S221 D252
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016788 hydrolase activity, acting on ester bonds
GO:0046872 metal ion binding
Biological Process
GO:0009056 catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5wms, PDBe:5wms, PDBj:5wms
PDBsum5wms
PubMed
UniProtA0A060GYS1

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