Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with ferulenol

Structure

x-ray diffraction · resolution 2.71 · 4 distinct chains · 67% helix, 0% strand (DSSP).

Ligands and binding sites

• 9AU · 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6, 10-trienyl]chromen-2-one · ligand · 4 copies · chains A, B, C, D
• FE · Fe (III) ion · metal · 8 copies · chains A, B, C, D
• OH · Hydroxide ion · ion · 4 copies · chains A, B, C, D
• OXY · Oxygen molecule · ion · 4 copies · chains A, B, C, D

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

Pockets

19 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Interfaces

5 interfaces between chains.

• A–B · 3883 Ų buried · 39 hydrogen bonds · protein-protein
• B–C · 735 Ų buried · 13 hydrogen bonds · protein-protein
• A–D · 690 Ų buried · 9 hydrogen bonds · protein-protein
• A–C · 132 Ų buried · 2 hydrogen bonds · protein-protein
• B–D · 114 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

• 5ZDP · Crystal structure of cyanide-insensitive alternative oxidase from trypanosoma brucei with… · the same entry in another collection · chain D against D, TM-score 1.00
• Q26710 · AlphaFold monomer V2.0 prediction for alternative oxidase, mitochondrial (Q26710) · a predicted model of the same protein · chain D against A, TM-score 0.98

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 Q26710
• Elsewhere: RCSB PDB 5ZDP · PDBe 5ZDP · UniProt Q26710