Structure of PDB 3ehj Chain A Binding Site BS02

Receptor Information
>3ehj Chain A (length=203) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLEDANERIAELVKLEERQRMARDLVDTLGQKLSLMGLKSDLARKLIYKD
PEQAARELKSVQQTARTSLNEVRKIVSSMKGIRLKDELINIKQILEAADI
MFIYEEEKWPENISLLNENILSMCLKEAVTNVVKHSQAKTCRVDIQQLWK
EVVITVSDDGTFKGEENSFHGLLGMRERLEFANGSLHIDTENGTKLTMAI
PNN
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3ehj Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ehj Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E289 N293
Binding residue
(residue number reindexed from 1)		E127 N131
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.13.3: histidine kinase.
Gene Ontology
Molecular Function
GO:0000155 phosphorelay sensor kinase activity
GO:0046983 protein dimerization activity
Biological Process
GO:0000160 phosphorelay signal transduction system
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ehj, PDBe:3ehj, PDBj:3ehj
PDBsum3ehj
PubMed19805278
UniProtO34757|DESK_BACSU Sensor histidine kinase DesK (Gene Name=desK)

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