Structure of PDB 2jk1 Chain A Binding Site BS01

Receptor Information
>2jk1 Chain A (length=138) Species: 1061 (Rhodobacter capsulatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAILLVDDEPHSLAAMKLALEDDFDVLTAQGAEAAIAILEEEWVQVIICD
QRMPGRTGVDFLTEVRERWPETVRIIITGYTDSASMMAAINDAGIHQFLT
KPWHPEQLLSSARNAARMFTLARENERLSLEMRLLERP
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 chain2jk1 Chain A Residue 1144 [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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PDB2jk1 The Hupr Receiver Domain Crystal Structure in its Nonphospho and Inhibitory Phospho States.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D13 D55 R57
Binding residue
(residue number reindexed from 1)		D8 D50 R52
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0000160 phosphorelay signal transduction system

View graph for
Biological Process
External links
PDB RCSB:2jk1, PDBe:2jk1, PDBj:2jk1
PDBsum2jk1
PubMed18977359
UniProtP26408|HUPR_RHOCA Hydrogenase transcriptional regulatory protein HupR1 (Gene Name=hupR1)

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