Structure of PDB 2y39 Chain A Binding Site BS01

Receptor Information
>2y39 Chain A (length=110) Species: 266264 (Cupriavidus metallidurans CH34) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDLHEILHEAVPLDANEREILELKEDAFAQRRREIETRLRAANGKLADAI
AKNPAWSPEVEAATQEVERAAGDLQRATLVHVFEMRAGLKPEHRPAYDRV
LIDALRRGSQ
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain2y39 Chain A Residue 150 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2y39 Structural Basis for Metal Sensing by Cnrx.
Resolution1.41 Å
Binding residue
(original residue number in PDB)		H42 H46 E63 H119 M123
Binding residue
(residue number reindexed from 1)		H4 H8 E25 H81 M85
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0042597 periplasmic space

View graph for
Cellular Component
External links
PDB RCSB:2y39, PDBe:2y39, PDBj:2y39
PDBsum2y39
PubMed21414325
UniProtP37975|CNRR_CUPMC Nickel and cobalt resistance protein CnrR (Gene Name=cnrR)

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