Structure of PDB 2eh3 Chain A Binding Site BS01

Receptor Information
>2eh3 Chain A (length=171) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTKERILEVSKELFFEKGYQGTSVEEIVKRANLSKGAFYFHFKSKEELIT
EIIERTHKKIISLFEENKEKTPEELLEMFLEVLYREKKVVYIFLFDLLCS
EKFRNIYFEKIEDAKRRFEKFLEKHFPSKAEILSEIILGFLRQLILHYVI
KEERELPFLKEKLREGLKLIF
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 chain2eh3 Chain A Residue 1001 [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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PDB2eh3 Crystal structure of aq_1058, a transcriptional regulator (TerR/AcrR family) from Aquifex aeolicus VF5
Resolution1.55 Å
Binding residue
(original residue number in PDB)		E75 E78
Binding residue
(residue number reindexed from 1)		E74 E77
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2eh3, PDBe:2eh3, PDBj:2eh3
PDBsum2eh3
PubMed
UniProtO67157

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