Structure of PDB 2cad Chain B Binding Site BS02

Receptor Information

>2cad Chain B (length=134) Species: 85962 (Helicobacter pylori 26695)

SIIRFSVSLQQNLLDELDNRIIKNGYSRSELVRDMIREKLVEDNWAEDES
KIAVLVVIYDHHQRELNQRMIDIQHASGTHVLCTTHIHMDEHNCLETIIL
QGNSFEIQRLQLEIGGLRGVKFAKLTKASSFEYN

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: 2cad Chain B Residue 1152

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2cad Structural Basis of the Nickel Response in Helicobacter Pylori: Crystal Structures of Hpnikr in Apo and Nickel-Bound States.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): H74 H75 E104
• Binding residue (residue number reindexed from 1): H61 H62 E91
• 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:2cad, PDBe:2cad, PDBj:2cad
• PDBsum: 2cad
• PubMed: 16872629
• UniProt: O25896|NIKR_HELPY Putative nickel-responsive regulator (Gene Name=HP_1338)