Structure of PDB 1isb Chain A Binding Site BS01

Receptor Information

>1isb Chain A (length=192) Species: 562 (Escherichia coli)

SFELPALPYAKDALAPHISAETIEYHYGKHHQTYVTNLNNLIKGTAFEGK
SLEEIIRSSEGGVFNNAAQVWNHTFYWNCLAPNAGGEPTGKVAEAIAASF
GSFADFKAQFTDAAIKNFGSGWTWLVKNSDGKLAIVSTSNAGTPLTTDAT
PLLTVDVWEHAYYIDYRNARPGYLEHFWALVNWEFVAKNLAA

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 1isb Chain A Residue 193

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1isb Structure-function in Escherichia coli iron superoxide dismutase: comparisons with the manganese enzyme from Thermus thermophilus.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): H26 H73 D156 H160
• Binding residue (residue number reindexed from 1): H26 H73 D156 H160
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.15.1.1: superoxide dismutase.

Gene Ontology

Molecular Function

• GO:0004784 superoxide dismutase activity
• GO:0005506 iron ion binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0000303 response to superoxide
• GO:0006801 superoxide metabolic process
• GO:0019430 removal of superoxide radicals

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0016020 membrane

External links

• PDB: RCSB:1isb, PDBe:1isb, PDBj:1isb
• PDBsum: 1isb
• PubMed: 7849024
• UniProt: P0AGD3|SODF_ECOLI Superoxide dismutase [Fe] (Gene Name=sodB)