Structure of PDB 3kbf Chain A Binding Site BS02

Receptor Information

>3kbf Chain A (length=156) Species: 6239 (Caenorhabditis elegans)

SNRAVAVLRGETVTGTIWITQKSENDQAVIEGEIKGLTPGLHGFHVHQYG
DSTNGCISAGPHFNPFGKTHGGPKSEIRHVGDLGNVEAGADGVAKIKLTD
TLVTLYGPNTVVGRSMVVHAGQDDLGEGVGDKAEESKKTGNAGARAACGV
IALAAP

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: 3kbf Chain A Residue 159

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3kbf X-ray Crystal Structure of C. elegans Cu,Zn Superoxide Dismutase
• Resolution: 1.3 Å
• Binding residue (original residue number in PDB): H62 H70 H79 D82
• Binding residue (residue number reindexed from 1): H62 H70 H79 D82
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H45 H47 H62 H70 H79 D82 H119 R145
• Catalytic site (residue number reindexed from 1): H45 H47 H62 H70 H79 D82 H119 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:0042803 protein homodimerization activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006801 superoxide metabolic process
• GO:0019430 removal of superoxide radicals
• GO:0040028 regulation of vulval development
• GO:0060378 regulation of brood size

Cellular Component

• GO:0005737 cytoplasm
• GO:0005739 mitochondrion
• GO:0005829 cytosol

External links

• PDB: RCSB:3kbf, PDBe:3kbf, PDBj:3kbf
• PDBsum: 3kbf
• UniProt: P34697|SODC_CAEEL Superoxide dismutase [Cu-Zn] (Gene Name=sod-1)