Structure of PDB 3e4o Chain A Binding Site BS01

Receptor Information
>3e4o Chain A (length=254) Species: 382 (Sinorhizobium meliloti) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGLAGQSRIDASLKASLLRAVVERQRALPLVLADDAAIRGALLSPDRPSL
DRINRKLEALATSAEAAVIYLIDRSGVAVAASNWQEPTSFVGNDYAFRDY
FRLAVRDGMAEHFAMGTVSKRPGLYISRRVDGPGGPLGVIVAKLEFDGVE
ADWQASGKPAYVTDRRGIVLITSLPSWRFMTTKPIAEDRLAPIRESLQFG
DAPLLPLPFRKIEARPDGSSTLDALLPGDSTAAFLRVETMVPSTNWRLEQ
LSPL
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 chain3e4o Chain A Residue 501 [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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PDB3e4o C4-dicarboxylates sensing mechanism revealed by the crystal structures of DctB sensor domain.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		A115 A118 A120
Binding residue
(residue number reindexed from 1)		A61 A64 A66
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.13.3: histidine kinase.
External links
PDB RCSB:3e4o, PDBe:3e4o, PDBj:3e4o
PDBsum3e4o
PubMed18725229
UniProtP13633|DCTB_RHIME C4-dicarboxylate transport sensor protein DctB (Gene Name=dctB)

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