Structure of PDB 2oiw Chain C Binding Site BS01

Receptor Information
>2oiw Chain C (length=133) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMFTTVITPRVSETDGVGHINNTTVPVWFEAGRHEIFKLFTPDLSFKRWR
MVIIRMEVDYVNQMYYGQDVTVYTGIERIGNTSLTIYEEIHQNGVVCAKG
RSVYVNFNFDTGRPEPIPDDIRVKLREHVWQPG
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2oiw Chain A Residue 501 [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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PDB2oiw The structure of a predicted thioesterase from Bacillus stearothermophilus
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S11 T13
Binding residue
(residue number reindexed from 1)		S12 T14
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.2.-
Gene Ontology
Molecular Function
GO:0016790 thiolester hydrolase activity
GO:0046872 metal ion binding
GO:0047617 fatty acyl-CoA hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:2oiw, PDBe:2oiw, PDBj:2oiw
PDBsum2oiw
PubMed
UniProtQ5KYT1

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