Crystal structure of SULFIDE:QUINONE oxidoreductase from acidithiobacillus ferrooxidans with bound trisulfide and decylubiquinone

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 27% strand (DSSP).

Ligands and binding sites

• FAD · Flavin-adenine dinucleotide · ligand · chains A
• DCQ · 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione · ligand · chains A
• S3H · trisulfane · ligand · chains A
• H2S · Hydrosulfuric acid · ion · 4 copies · chains A
• SO4 · Sulfate ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

• 3T0K · Crystal structure of sulfide:qui oxidoreductase from Acidithiobacillus ferrooxidans with… · the same entry in another collection · chain A against A, TM-score 1.00
• B7JBP8 · AlphaFold monomer V2.0 prediction for sulfide-quinone reductase (B7JBP8) · a predicted model of the same protein · chain A against A, TM-score 0.96

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt B7JBP8
• Elsewhere: RCSB PDB 3T0K · PDBe 3T0K · UniProt B7JBP8