Structure of the reduced form of cytochrome BA3 oxidase from thermus thermophilus

Structure

x-ray diffraction · 3 distinct chains · 61% helix, 9% strand (DSSP).

Ligands and binding sites

• HEM · Protoporphyrin IX containing Fe · ligand · chains A
• HAS · Heme-as · ligand · chains A, C
• CUA · Dinuclear copper ion · ligand · chains B
• BNG · nonyl beta-D-glucopyranoside · ligand · chains A, C
• CU1 · Copper (I) ion · metal · chains A

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

Pockets

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

Interfaces

3 interfaces between chains.

• A–B · 3085 Ų buried · 32 hydrogen bonds · protein-protein
• A–C · 1077 Ų buried · 4 hydrogen bonds · protein-protein
• B–C · 953 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

• 3EH4 · Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus · the same entry in another collection · 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
• 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 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 0.83

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 3EH4 · PDBe 3EH4 · UniProt Q5SJ79 · UniProt Q5SJ80 · UniProt P82543