Structure of recombinant cytochrome BA3 oxidase mutant A204F from thermus thermophilus

Structure

x-ray diffraction · 3 distinct chains · 64% helix, 9% strand (DSSP).

Ligands and binding sites

• HEM · Protoporphyrin IX containing Fe · ligand · chains A
• HAS · Heme-as · ligand · chains A, C
• PEO · Hydrogen peroxide · ligand · chains A
• CUA · Dinuclear copper ion · ligand · chains B
• CU · Copper (II) ion · metal · chains A
• OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 16 copies · chains A, C, B

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

Pockets

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

Interfaces

3 interfaces between chains.

• A–B · 2862 Ų buried · 27 hydrogen bonds · protein-protein
• A–C · 1029 Ų buried · 8 hydrogen bonds · protein-protein
• B–C · 843 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

• 4FA7 · Structure of Recombinant Cytochrome ba3 Oxidase mutant A204F from Thermus thermophilus · the same entry in another collection · chain A against A, TM-score 1.00
• Q5SJ79 · AlphaFold monomer V2.0 prediction for cytochrome C oxidase subunit 1 (Q5SJ79) · a predicted model of the same protein · chain A against A, TM-score 1.00
• Q5SJ80 · AlphaFold monomer V2.0 prediction for cytochrome C oxidase subunit 2 (Q5SJ80) · a predicted model of the same protein · chain B against A, TM-score 0.99
• P82543 · AlphaFold monomer V2.0 prediction for cytochrome C oxidase polypeptide 2A (P82543) · a predicted model of the same protein · chain C against A, TM-score 0.86

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 Q5SJ79
• Every structure of UniProt Q5SJ80
• Every structure of UniProt P82543
• Elsewhere: RCSB PDB 4FA7 · PDBe 4FA7 · UniProt Q5SJ79 · UniProt Q5SJ80 · UniProt P82543