Structure of PDB 3e81 Chain B Binding Site BS03

Receptor Information
>3e81 Chain B (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 IDVN4
InChIInChI=1S/3O.V/q;;-1;
InChIKeyALTWGIIQPLQAAM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[O-][V](=O)=O
FormulaO3 V
Nameoxido(dioxo)vanadium
ChEMBL
DrugBank
ZINC
PDB chain3e81 Chain B Residue 170 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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 I11 D12 T54 K80
Binding residue
(residue number reindexed from 1)		D10 I11 D12 T54 K80
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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