Structure of PDB 3mnd Chain B Binding Site BS04

Receptor Information

>3mnd Chain B (length=152) Species: 6204 (Taenia solium)

MKAVCVMRGEEGVKGVVHFTQAGDAVKVHAEFEGLKPGKHGFHVHEFGDT
TQGCTSAGAHFNPHGKNHGAPDAAERHVGDLGNVTAGADGKATLDLTDKM
ISLTGEHSVIGRSLVIHVDPDDLGLGGHELSLITGNAGGRVACGIIGIAK
SE

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: 3mnd Chain B Residue 156

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3mnd Crystal structure of Cu / Zn superoxide dismutase from Taenia solium reveals metal-mediated self-assembly
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): H43 H45 H60 H117
• Binding residue (residue number reindexed from 1): H43 H45 H60 H117
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H43 H45 H60 H68 H77 D80 H117 R140
• 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:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006801 superoxide metabolic process
• GO:0019430 removal of superoxide radicals

External links

• PDB: RCSB:3mnd, PDBe:3mnd, PDBj:3mnd
• PDBsum: 3mnd
• PubMed: 21767346
• UniProt: Q8WRF5