Structure of PDB 3ehg Chain A Binding Site BS02

Receptor Information
>3ehg Chain A (length=125) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIRLKDELINIKQILEAADIMFIYEEEKWPENISLLNENILSMCLKEAVT
NVVKHSQAKTCRVDIQQLWKEVVITVSDDGTFKGEENSFSKGHGLLGMRE
RLEFANGSLHIDTENGTKLTMAIPN
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 chain3ehg Chain A Residue 371 [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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PDB3ehg Structural and enzymatic insights into the ATP binding and autophosphorylation mechanism of a sensor histidine kinase
Resolution1.74 Å
Binding residue
(original residue number in PDB)		E289 N293
Binding residue
(residue number reindexed from 1)		E47 N51
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.13.3: histidine kinase.
External links
PDB RCSB:3ehg, PDBe:3ehg, PDBj:3ehg
PDBsum3ehg
PubMed20507988
UniProtO34757|DESK_BACSU Sensor histidine kinase DesK (Gene Name=desK)

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