Structure of PDB 4dfd Chain A Binding Site BS01

Receptor Information
>4dfd Chain A (length=205) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSKGIKNLLIDLGGVLINLDRERCIENFKKIGFQNIEEKFCTHQLDGIFL
QQEKGLITPAEFRDGIREMMGKMVSDKQIDAAWNSFLVDIPTYKLDLLLK
LREKYVVYLLSNTNDIHWKWVCKNAFPYRTFKVEDYFEKTYLSYEMKMAK
PEPEIFKAVTEDAGIDPKETFFIDDSEINCKVAQELGISTYTPKAGEDWS
HLFRK
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 chain4dfd Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dfd Crystal Structure of Protein Bt-2542 from Bacteroides Thetaiotaomicron (Target Efi-501088)
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D12 G14 D176
Binding residue
(residue number reindexed from 1)		D11 G13 D175
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:4dfd, PDBe:4dfd, PDBj:4dfd
PDBsum4dfd
PubMed
UniProtQ8A4Q5

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