Structure of PDB 1q5y Chain A Binding Site BS01

Receptor Information
>1q5y Chain A (length=84) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQGFAVLSYVYEHEKRDLASRIVSTQHHHHDLSVATLHVHINHDDCLEIA
VLKGDMGDVQHFADDVIAQRGVRHGHLQCLPKED
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 chain1q5y Chain A Residue 534 [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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PDB1q5y Crystal Structure of the Nickel-Responsive Transcription Factor NikR
Resolution1.4 Å
Binding residue
(original residue number in PDB)		H87 H89 C95
Binding residue
(residue number reindexed from 1)		H38 H40 C46
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1q5y, PDBe:1q5y, PDBj:1q5y
PDBsum1q5y
PubMed12970756
UniProtP0A6Z6|NIKR_ECOLI Nickel-responsive regulator (Gene Name=nikR)

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