Structure of PDB 3qnm Chain A Binding Site BS01

Receptor Information
>3qnm Chain A (length=231) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKYKNLFFDLDDTIWAFSRNARDTFEEVYQKYSFDRYFDSFDHYYTLYQR
RNTELWLEYGEGKVTKEELNRQRFFYPLQAVGVEDEALAERFSEDFFAII
PTKSGLMPHAKEVLEYLAPQYNLYILSNGFRELQSRKMRSAGVDRYFKKI
ILSEDLGVLKPRPEIFHFALSATQSELRESLMIGDSWEADITGAHGVGMH
QAFYNVTERTVFPFQPTYHIHSLKELMNLLE
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 chain3qnm Chain A Residue 400 [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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PDB3qnm Haloalkane Dehalogenase Family Member from Bacteroides thetaiotaomicron of Unknown Function
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D9 D11 D185
Binding residue
(residue number reindexed from 1)		D9 D11 D185
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008253 5'-nucleotidase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3qnm, PDBe:3qnm, PDBj:3qnm
PDBsum3qnm
PubMed
UniProtQ8A5G8

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