Structure of PDB 3ddh Chain A Binding Site BS01

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 232 [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)		D11 D13 N179
Binding residue
(residue number reindexed from 1)		D12 D14 N180
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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