Structure of PDB 2q2l Chain B Binding Site BS01

Receptor Information

>2q2l Chain B (length=152) Species: 487759 (Potentilla atrosanguinea)

MAKGVAVLSSSEGVAGTILFTQEGDGPTTVTGNISGLKPGLHGFHVHALG
DTTNGCMSTGPHFNPAGKEHGSPEDETRHAGDLGNITVGDDGTACFTIVD
KQIPLTGPHSIIGRAVVVHADPDDLGKGGHELSKSTGNAGGRIACGIIGL
QG

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: 2q2l Chain B Residue 1002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2q2l SAD phasing of a structure based on cocrystallized iodides using an in-house Cu Kalpha X-ray source: effects of data redundancy and completeness on structure solution
• Resolution: 2.367 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 R142
• Catalytic site (residue number reindexed from 1): H45 H47 H62 H70 H79 D82 H119 R142
• 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

External links

• PDB: RCSB:2q2l, PDBe:2q2l, PDBj:2q2l
• PDBsum: 2q2l
• PubMed: 17642520
• UniProt: B2CP37