Structure of PDB 1gn2 Chain F Binding Site BS01

Receptor Information

>1gn2 Chain F (length=198) Species: 1773 (Mycobacterium tuberculosis)

AEYTLPDLDWDYGALEPHISGQINELHHSKHHATYVKGANDAVAKLEEAR
AKEDHSAILLNEKNLAFNLAGHVNHTIWWKNLSPNGGDKPTGELAAAIAD
AFGSFDKFRAQFHAAATTVQGCGWAALGWDTLGNKLLIFQVYDHQTNFPL
GIVPLLLLDMWEHAFYLQYKNVKVDFAKAFWNVVNWADVQSRYAAATS

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: 1gn2 Chain F Residue 999

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1gn2 Engineering of an Intersubunit Disulfide Bridge in the Iron-Superoxide Dismutase of Mycobacterium Tuberculosis.
• Resolution: 3.4 Å
• Binding residue (original residue number in PDB): H28 H76 D160 H164
• Binding residue (residue number reindexed from 1): H27 H75 D159 H163
• 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:0005515 protein binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006801 superoxide metabolic process
• GO:0006979 response to oxidative stress
• GO:0019430 removal of superoxide radicals
• GO:0098754 detoxification

Cellular Component

• GO:0005576 extracellular region
• GO:0005829 cytosol
• GO:0005886 plasma membrane
• GO:0042597 periplasmic space

External links

• PDB: RCSB:1gn2, PDBe:1gn2, PDBj:1gn2
• PDBsum: 1gn2
• PubMed: 11747311
• UniProt: P9WGE7|SODF_MYCTU Superoxide dismutase [Fe] (Gene Name=sodB)