› 4eyw

X-ray diffraction
1.88Å resolution

Crystal structure of rat carnitine palmitoyltransferase 2 in complex with 1-[(R)-2-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-piperidin-1-yl]-2-phenoxy-ethanone

Released:
DOI: 10.2210/pdb4eyw/pdb
PDB entry 4eyw coloured by chain, front view.
PDB entry 4eyw coloured by chain, side view.
PDB entry 4eyw coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein.
Perspicace S, Rufer AC, Thoma R, Mueller F, Hennig M, Ceccarelli S, Schulz-Gasch T, Seelig J
FEBS Open Bio 3 204-11 (2013)
PMID: 23772395

Function and Biology Details

Reaction catalysed: 
Palmitoyl-CoA + L-carnitine = CoA + L-palmitoylcarnitine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148462 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carnitine O-palmitoyltransferase 2, mitochondrial Chains: A, B
Molecule details ›
Chains: A, B
Length: 634 amino acids
Theoretical weight: 71.53 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P18886 (Residues: 27-658; Coverage: 96%)
Gene names: Cpt-2, Cpt2
Sequence domains: Choline/Carnitine o-acyltransferase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand L0R 2 x L0R
Ligand P6G 2 x P6G
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P42212
Unit cell:
a: 148.144Å b: 148.144Å c: 192.07Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.173 0.197
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Biophysics in drug discovery: impact, challenges and opportunities.
Renaud et al. (2016)
2 more

2 mentions without citation

Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein.
Perspicace et al. (2013)
1 more