Structure of PDB 3qsi Chain I Binding Site BS01

Receptor Information
>3qsi Chain I (length=79) Species: 210 (Helicobacter pylori) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIAVLVVIYDHHQRELNQRMIDIQHASGTHVLCTTHIHMDEHNCLETIIL
QGNSFEIQRLQLEIGGLRGVKFAKLTKAS
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 chain3qsi Chain I Residue 1 [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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PDB3qsi Ni(II) coordination to mixed sites modulates DNA binding of HpNikR via a long-range effect.
Resolution3.08 Å
Binding residue
(original residue number in PDB)		H99 H101 C107
Binding residue
(residue number reindexed from 1)		H36 H38 C44
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3qsi, PDBe:3qsi, PDBj:3qsi
PDBsum3qsi
PubMed22451934
UniProtO25896|NIKR_HELPY Putative nickel-responsive regulator (Gene Name=HP_1338)

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