Structure of PDB 1gn4 Chain B Binding Site BS01

Receptor Information

>1gn4 Chain B (length=198) Species: 1773 (Mycobacterium tuberculosis)

AEYTLPDLDWDYGALEPHISGQINELHHSKHHATYVKGANDAVAKLEEAR
AKEDHSAILLNEKNLAFNLAGHVNHTIWWKNLSPNGGDKPTGELAAAIAD
AFGSFDKFRAQFHAAATTVQGSGWAALGWDTLGNKLLIFQVYDEQTNFPL
GIVPLLLLDMWEHAFYLQYKNVKVDFAKAFWNVVNWADVQSRYAAATS

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 1gn4 Chain B Residue 1200

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1gn4 Engineering a Change in the Metal-Ion Specificity of the Iron-Depedent Superoxide Dismutase from Mycobacterium Tuberculosis. X-Ray Structure Analysis of Site-Directed Mutants
• Resolution: 2.5 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:1gn4, PDBe:1gn4, PDBj:1gn4
• PDBsum: 1gn4
• PubMed: 9490054
• UniProt: P9WGE7|SODF_MYCTU Superoxide dismutase [Fe] (Gene Name=sodB)