Structure of PDB 3e81 Chain A Binding Site BS01

Receptor Information
>3e81 Chain A (length=164) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKEIKLILTDIDGVWTDGGMFYDQTGNEWKKFNTSDSAGIFWAHNKGIPV
GILTGEKTEIVRRRAEKLKVDYLFQGVVDKLSAAEELCNELGINLEQVAY
IGDDLNDAKLLKRVGIAGVPASAPFYIRRLSTIFLEKRGGEGVFREFVEK
VLGINLEDFIAVIQ
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 chain3e81 Chain A Residue 165 [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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PDB3e81 Structure-Function Analysis of 2-Keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate Phosphatase Defines Specificity Elements in Type C0 Haloalkanoate Dehalogenase Family Members.
Resolution1.629 Å
Binding residue
(original residue number in PDB)		D10 D12 D103
Binding residue
(residue number reindexed from 1)		D10 D12 D103
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.103: 3-deoxy-D-glycero-D-galacto-nonulopyranosonate 9-phosphatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3e81, PDBe:3e81, PDBj:3e81
PDBsum3e81
PubMed18986982
UniProtQ8A712|KDGGP_BACTN 2-keto-3-deoxy-D-glycero-D-galacto-9-phosphonononic acid phosphatase (Gene Name=BT_1713)

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