Structure of PDB 4hgr Chain B Binding Site BS01

Receptor Information
>4hgr Chain B (length=163) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEIKLILTDIDGVWTDGGMFYDQTGNEWKKFNTSDSAGIFWAHNKGIPVG
ILTGAKTEIVRRRAEALKVDYLFQGVVDKLSAAEELCNELGINLEQVAYI
GDDLNDAKLLKRVGIAGVPASAPFYIRRLSTIFLEKRGGEGVFREFVEKV
LGINLEDFIAVIQ
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 chain4hgr Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hgr Structural Basis for the Divergence of Substrate Specificity and Biological Function within HAD Phosphatases in Lipopolysaccharide and Sialic Acid Biosynthesis.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		D10 D12 D103
Binding residue
(residue number reindexed from 1)		D9 D11 D102
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:4hgr, PDBe:4hgr, PDBj:4hgr
PDBsum4hgr
PubMed23848398
UniProtQ8A712|KDGGP_BACTN 2-keto-3-deoxy-D-glycero-D-galacto-9-phosphonononic acid phosphatase (Gene Name=BT_1713)

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