Structure of PDB 4wwf Chain A Binding Site BS01

Receptor Information
>4wwf Chain A (length=111) Species: 266264 (Cupriavidus metallidurans CH34) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HGDLHEILHEAVPLDANEREILELKEDAFAQRRREIETRLRAANGKLADA
IAKNPAWSPEVEAATQEVERAAGDLQRATLVHVFECRAGLKPEHRPAYDR
VLIDALRRGSQ
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 chain4wwf Chain A Residue 201 [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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PDB4wwf Response of CnrX from Cupriavidus metallidurans CH34 to nickel binding.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		H42 H46 E63 H119
Binding residue
(residue number reindexed from 1)		H5 H9 E26 H82
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0042597 periplasmic space

View graph for
Cellular Component
External links
PDB RCSB:4wwf, PDBe:4wwf, PDBj:4wwf
PDBsum4wwf
PubMed25628016
UniProtP37975|CNRR_CUPMC Nickel and cobalt resistance protein CnrR (Gene Name=cnrR)

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