Structure of PDB 3ddh Chain A Binding Site BS02

Receptor Information
>3ddh Chain A (length=229) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMKELIKVIAFDADDTLWSNEPFFQEVEKQYTDLLKPYGTSKEISAALFQ
TEMNNLQILGYGAKAFTISMVETALQISNGKIAADIIRQIVDLGKSLLKM
PIELLPGVKETLKTLKETGKYKLVVATKGDLLDQENKLERSGLSPYFDHI
EVMSDKTEKEYLRLLSILQIAPSELLMVGNSFKSDIQPVLSLGGYGVHIP
FEVMWKHETFAHERLKQVKRLDDLLSLLG
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 chain3ddh Chain A Residue 234 [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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PDB3ddh The structure of a putative haloacid dehalogenase-like family hydrolase from Bacteroides thetaiotaomicron VPI-5482
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y60 G61 K63 A64 D129
Binding residue
(residue number reindexed from 1)		Y61 G62 K64 A65 D130
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3ddh, PDBe:3ddh, PDBj:3ddh
PDBsum3ddh
PubMed
UniProtQ8A5Q8

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