Structure of PDB 3ce1 Chain A Binding Site BS02

Receptor Information

>3ce1 Chain A (length=150) Species: 104408 (Naganishia liquefaciens)

IKAIAVLKGDSPVQGVITFTQEGPVTVSGEIKNMDANAQRGFHVHQFGDN
SNGCTSAGPHFNPTGTNHGDRTAEVRHVGDLGNVKTDASGVAKVQISDSQ
LSLVGPHSIIGRTIVIHAGEDDLGKTDHPESLKTGNAGARSACGVIGIAA

Ligand information

• Ligand ID: CU
• InChI: InChI=1S/Cu/q+2
• InChIKey: JPVYNHNXODAKFH-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Cu+2]
  CACTVS 3.341: [Cu++]
• Formula: Cu
• Name: COPPER (II) ION
• DrugBank: DB14552
• PDB chain: 3ce1 Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ce1 Structure of Cu/Zn superoxide dismutase from the heavy-metal-tolerant yeast Cryptococcus liquefaciens strain N6.
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): H50 H52 H67 H124
• Binding residue (residue number reindexed from 1): H43 H45 H60 H117
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H50 H52 H67 H75 H84 D87 H124 R147
• Catalytic site (residue number reindexed from 1): H43 H45 H60 H68 H77 D80 H117 R140
• Enzyme Commision number: 1.15.1.1: superoxide dismutase.

Gene Ontology

Molecular Function

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

Biological Process

• GO:0006801 superoxide metabolic process
• GO:0019430 removal of superoxide radicals
• GO:0034599 cellular response to oxidative stress

External links

• PDB: RCSB:3ce1, PDBe:3ce1, PDBj:3ce1
• PDBsum: 3ce1
• PubMed: 18640099
• UniProt: A0ZPR9