Structure of PDB 2ce4 Chain A Binding Site BS01

Receptor Information

>2ce4 Chain A (length=203) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539)

AYTLPQLPYAYDALEPHIDARTMEIHHTKHHQTYVDNANKALETEFADLP
VEQLIQQLDRVPADKKGALRNNAGGHANHSMFWQIMGQANQPSGELLDAI
NSAFGSFDAFKQKFEDAAKTRFGSGWAWLVVKDGKLDVVSTANQDNPLMG
EAIAGVSGTPILGVDVWEHAYYLNYQNRRPDYLAAFWNVVNWDEVSKRYA
AAK

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: 2ce4 Chain A Residue 1211

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ce4 Structure of the manganese superoxide dismutase from Deinococcus radiodurans in two crystal forms.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): H26 H80 D172 H176
• Binding residue (residue number reindexed from 1): H26 H79 D165 H169
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.15.1.1: superoxide dismutase.

Gene Ontology

Molecular Function

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

Biological Process

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

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:2ce4, PDBe:2ce4, PDBj:2ce4
• PDBsum: 2ce4
• PubMed: 16582477
• UniProt: Q9RUV2|SODM_DEIRA Superoxide dismutase [Mn] (Gene Name=sodA)