Structure of PDB 1to4 Chain B Binding Site BS02

Receptor Information

>1to4 Chain B (length=156) Species: 6183 (Schistosoma mansoni)

GSNMKAVCVMTGTAGVKGVVKFTQETDNGPVHVHAEFSGLKAGKHGFHVH
EFGDTTNGCTSAGAHFNPTKQEHGAPEDSIRHVGDLGNVVAGADGNAVYN
ATDKLISLNGSHSIIGRSMVIHENEDDLGRGGHELSKVTGNAGGRLACGV
VGLAAE

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: 1to4 Chain B Residue 812

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1to4 Structure of the cytosolic Cu,Zn superoxide dismutase from Schistosoma mansoni.
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): H62 H70 H79 D82
• Binding residue (residue number reindexed from 1): H65 H73 H82 D85
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H45 H47 H62 H70 H79 D82 H119 R142
• Catalytic site (residue number reindexed from 1): H48 H50 H65 H73 H82 D85 H122 R145
• 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:0005737 cytoplasm

External links

• PDB: RCSB:1to4, PDBe:1to4, PDBj:1to4
• PDBsum: 1to4
• PubMed: 15333927
• UniProt: Q01137|SODC_SCHMA Superoxide dismutase [Cu-Zn] (Gene Name=SOD)