Structure of PDB 2bj8 Chain B Binding Site BS01

Receptor Information
>2bj8 Chain B (length=138) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MELIRFSISIPSKLLEKFDQIIEEIGYENRSEAIRDLIRDFIIRHEWEVG
NEEVAGTITIVYNHDEGDVVKALLDLQHEYLDEIISSLHVHMDEHNCLEV
IVVKGEAKKIKMIADKLLSLKGVKHGKLVMTSTGKELV
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 chain2bj8 Chain B Residue 1139 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bj8 Structure of Pyrococcus Horikoshii Nikr: Nickel Sensing and Implications for the Regulation of DNA Recognition
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H89 H91 C97
Binding residue
(residue number reindexed from 1)		H89 H91 C97
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0016151 nickel cation binding
GO:0046872 metal ion binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0010045 response to nickel cation

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Molecular Function
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Biological Process
External links
PDB RCSB:2bj8, PDBe:2bj8, PDBj:2bj8
PDBsum2bj8
PubMed15826657
UniProtO58316|NIKR_PYRHO Putative nickel-responsive regulator (Gene Name=PH0601)

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