Structure of PDB 5in2 Chain A Binding Site BS01

Receptor Information

>5in2 Chain A (length=156) Species: 6282 (Onchocerca volvulus)

ARRAVAVLRGDAGVSGIIYFQQGSGGSITTISGSVSGLTPGLHGFHVHQY
GDQTNGCTSAGDHYNPFGKTHGGPNDRIKHIGDLGNIVAGANGVAEVYIN
SYDIKLRGPLSVIGHSLVVHANTDDLGQGTGNMREESLKTGNAGSRLACG
VIGIAA

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 5in2 Chain A Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5in2 Crystal structure of extracellular Cu/Zn Superoxide Dismutase from Onchocerca volvulus at 1.5 Angstrom; Insight into novel binding site and new inhibitors
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): H63 H71 H80 D83
• Binding residue (residue number reindexed from 1): H63 H71 H80 D83
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H46 H48 H63 H71 H80 D83 H120 R146
• Catalytic site (residue number reindexed from 1): H46 H48 H63 H71 H80 D83 H120 R146
• Enzyme Commision number: 1.15.1.1: superoxide dismutase.

Gene Ontology

Molecular Function

• GO:0004784 superoxide dismutase activity
• GO:0005507 copper ion binding
• GO:0016209 antioxidant activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006801 superoxide metabolic process
• GO:0019430 removal of superoxide radicals
• GO:0098869 cellular oxidant detoxification

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:5in2, PDBe:5in2, PDBj:5in2
• PDBsum: 5in2
• UniProt: Q07449|SODE_ONCVO Extracellular superoxide dismutase [Cu-Zn] (Gene Name=sod-4)