Structure of PDB 3lgh Chain B Binding Site BS01

Receptor Information

>3lgh Chain B (length=139) Species: 85962 (Helicobacter pylori 26695)

SIIRFSVSLQQNLLDELDNRIIKNGYSSRSELVRDMIREKLVEDNWAEDN
PNDESKIAVLVVIYDHHQRELNQRMIDIQHASGTHVLCTTHIHMDEHNCL
ETIILQGNSFEIQRLQLEIGGLRGVKFAKLTKASSFEYN

Ligand information

• Ligand ID: NI
• InChI: InChI=1S/Ni/q+2
• InChIKey: VEQPNABPJHWNSG-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ni++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ni+2]
• Formula: Ni
• Name: NICKEL (II) ION
• DrugBank: DB14204
• PDB chain: 3lgh Chain B Residue 149

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3lgh Holo-Ni(II)HpNikR Is an Asymmetric Tetramer Containing Two Different Nickel-Binding Sites.
• Resolution: 2.37 Å
• Binding residue (original residue number in PDB): H99 H101 C107
• Binding residue (residue number reindexed from 1): H91 H93 C99
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0000976 transcription cis-regulatory region binding
• GO:0001217 DNA-binding transcription repressor activity
• GO:0003677 DNA binding
• GO:0003700 DNA-binding transcription factor activity
• GO:0016151 nickel cation binding
• GO:0042802 identical protein binding
• GO:0043565 sequence-specific DNA binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006355 regulation of DNA-templated transcription
• GO:0010045 response to nickel cation
• GO:0045892 negative regulation of DNA-templated transcription

Cellular Component

• GO:0032993 protein-DNA complex

External links

• PDB: RCSB:3lgh, PDBe:3lgh, PDBj:3lgh
• PDBsum: 3lgh
• PubMed: 20863122
• UniProt: O25896|NIKR_HELPY Putative nickel-responsive regulator (Gene Name=HP_1338)