Structure of PDB 1kkc Chain B Binding Site BS01

Receptor Information

>1kkc Chain B (length=199)

QYTLPPLPYPYDALQPYISQQIMELHHKKHHQTYVNGLNAALEAQKKAAE
ATDVPKLVSVQQAIKFNGGGHINHSLFWKNLAPEKSGGGKIDQAPVLKAA
IEQRWGSFDKFKDAFNTTLLGIQGSGWGWLVTDGPKGKLDITTTHDQDPV
TGAAPVFGVDMWEHAYYLQYLNDKASYAKGIWNVINWAEAENRYIAGDK

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 1kkc Chain B Residue 2002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1kkc Comparison of the crystal structures of the human manganese superoxide dismutase and the homologous Aspergillus fumigatus allergen at 2-A resolution.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H40 H88 D174 H178
• Binding residue (residue number reindexed from 1): H26 H74 D160 H164
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.15.1.1: superoxide dismutase.

Gene Ontology

Molecular Function

• GO:0004784 superoxide dismutase activity
• GO:0016209 antioxidant activity
• GO:0016491 oxidoreductase activity
• GO:0019863 IgE binding
• GO:0030145 manganese ion binding
• 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:0005739 mitochondrion
• GO:0005759 mitochondrial matrix

External links

• PDB: RCSB:1kkc, PDBe:1kkc, PDBj:1kkc
• PDBsum: 1kkc
• PubMed: 11801664
• UniProt: Q92450|SODM_ASPFU Superoxide dismutase [Mn], mitochondrial (Gene Name=sodB)