Structure of PDB 3k9s Chain B Binding Site BS01

Receptor Information

>3k9s Chain B (length=205) Species: 83333 (Escherichia coli K-12)

SYTLPSLPYAYDALEPHFDKQTMEIHHTKHHQTYVNNANAALESLPEFAN
LPVEELITKLDQLPADKKTVLRNNAGGHANHSLFWKGLKKGTTLQGDLKA
AIERDFGSVDNFKAEFEKAAASRFGSGWAWLVLKGDKLAVVSTANQDSPL
MGEAISGASGFPIMGLDVWEHAYYLKFQNRRPDYIKEFWNVVNWDEAAAR
FAAKK

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: 3k9s Chain B Residue 206

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3k9s Structural Analysis of Peroxide-Soaked MnSOD Crystals Reveals Side-On Binding of Peroxide to Active-Site Manganese.
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): H26 H81 D167 H171
• Binding residue (residue number reindexed from 1): H26 H81 D167 H171
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.15.1.1: superoxide dismutase.

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0004784 superoxide dismutase activity
• GO:0016209 antioxidant activity
• GO:0016491 oxidoreductase activity
• GO:0030145 manganese ion binding
• GO:0042803 protein homodimerization activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006801 superoxide metabolic process
• GO:0006979 response to oxidative stress
• GO:0009408 response to heat
• GO:0010447 response to acidic pH
• GO:0019430 removal of superoxide radicals
• GO:0071291 cellular response to selenium ion

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:3k9s, PDBe:3k9s, PDBj:3k9s
• PDBsum: 3k9s
• PubMed: 20417642
• UniProt: P00448|SODM_ECOLI Superoxide dismutase [Mn] (Gene Name=sodA)