› 4c2j

X-ray diffraction
2Å resolution

Crystal structure of human mitochondrial 3-ketoacyl-CoA thiolase in complex with CoA

Released:
DOI: 10.2210/pdb4c2j/pdb
Model geometry
Fit model/data
PDB entry 4c2j coloured by chain, front view.
PDB entry 4c2j coloured by chain, side view.
PDB entry 4c2j coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The crystal structure of human mitochondrial 3-ketoacyl-CoA thiolase (T1): insight into the reaction mechanism of its thiolase and thioesterase activities.
Kiema TR, Harijan RK, Strozyk M, Fukao T, Alexson SE, Wierenga RK
Acta Crystallogr D Biol Crystallogr 70 3212-25 (2014)
PMID: 25478839

Function and Biology Details

Reactions catalysed: 
(1a) [acetyl-CoA C-acyltransferase]-S-acyl-L-cyteine + acetyl-CoA = 3-oxoacyl-CoA + [acetyl-CoA C-acyltransferase]-L-cyteine
(1a) acetyl-CoA + [acetyl-CoA C-acetyltransferase]-L-cysteine = [acetyl-CoA C-acetyltransferase]-S-acetyl-L-cysteine + CoA
Acetyl-CoA + H(2)O = CoA + acetate
Palmitoyl-CoA + H(2)O = CoA + palmitate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-154860 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-ketoacyl-CoA thiolase, mitochondrial Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 417 amino acids
Theoretical weight: 44.16 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P42765 (Residues: 1-397; Coverage: 100%)
Gene name: ACAA2
Sequence domains:
Structure domains: Peroxisomal Thiolase; Chain A, domain 1

Ligands and Environments


Cofactor: Ligand COA 4 x COA
1 bound ligand:
Ligand EDO 16 x EDO
1 modified residue:
Ligand CSO 4 x CSO

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P21
Unit cell:
a: 54.65Å b: 197.16Å c: 79.95Å
α: 90° β: 103.72° γ: 90°
R-values:
R R work R free
0.174 0.172 0.203
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Mutation update on ACAT1 variants associated with mitochondrial acetoacetyl-CoA thiolase (T2) deficiency.
Abdelkreem et al. (2019)
2 more

1 mention without citation

Cullin-associated and neddylation-dissociated protein 1 (CAND1) alleviates NAFLD by reducing ubiquitinated degradation of ACAA2.
Huang et al. (2023)