Succinyl-COA:ACETATE CoA-transferase (AARCH6) bound to acetate and degradation products from the acetyl-CoA analogue dethiaacetyl-CoA

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 21% strand (DSSP).

Ligands and binding sites

• 0T1 · [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate · ligand · 2 copies · chains A, B
• ACE · Acetyl group · ligand · chains A
• CL · Chloride ion · ion · 4 copies · chains A, B
• IMD · Imidazole · additive · 4 copies · chains A, B
• FMT · Formic acid · additive · chains A
• ACT · Acetate ion · additive · chains B

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

Pockets

12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 3569 Ų buried · 46 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (oxidation).

Compared structures

• 5E5H · Succinyl-CoA:acetate CoA-transferase (AarCH6) bound to acetate and degradation products… · the same entry in another collection · chain A against A, TM-score 1.00

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 A0A063X8M7
• Elsewhere: RCSB PDB 5E5H · PDBe 5E5H · UniProt A0A063X8M7