› 4ep9

X-ray diffraction
2.03Å resolution

CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX WITH CoA-site inhibitor

Released:
DOI: 10.2210/pdb4ep9/pdb
PDB entry 4ep9 coloured by chain, front view.
PDB entry 4ep9 coloured by chain, side view.
PDB entry 4ep9 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 Chain: A
Molecule details ›
Chain: A
Length: 653 amino acids
Theoretical weight: 73.57 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 0RD 1 x 0RD
Ligand PLM 1 x PLM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P43212
Unit cell:
a: 67.5Å b: 67.5Å c: 308.93Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.178 0.243
Expression system: Escherichia coli BL21(DE3)

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Citations

3 review citations

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

3 mentions without citation

Small Molecule Inhibitors of Metabolic Enzymes Repurposed as a New Class of Anthelmintics.
Tyagi et al. (2018)
2 more