Structure of PDB 3ibs Chain B Binding Site BS01

Receptor Information
>3ibs Chain B (length=205) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVEVIIALDISNSMLAQDVQPSRLEKAKRLISRLVDELDNDKVGMIVFAG
DAFTQLPITSDYISAKMFLESISPSLISKQGTAIGEAINLATRSFTPQEG
VGRAIIVITDGENHEGGAVEAAKAAAEKGIQVSVLGVGMPEGAPIPVEGT
NDYRRDREGNVIVTRLNEGMCQEIAKDGKGIYVRVDNSNSAQKAISQEIS
KMAKS
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 chain3ibs Chain B Residue 219 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ibs Crystal structure of conserved hypothetical protein BatB from Bacteroides thetaiotaomicron
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S15 S17
Binding residue
(residue number reindexed from 1)		S11 S13
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links