› 4jl4

X-ray diffraction
2.5Å resolution

Crystal structure of the complex between PPARgamma LBD and the ligand LJ570 [(2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid]

Released:
DOI: 10.2210/pdb4jl4/pdb
PDB entry 4jl4 coloured by chain, front view.
PDB entry 4jl4 coloured by chain, side view.
PDB entry 4jl4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of the First PPARα/γ Dual Agonist Able To Bind to Canonical and Alternative Sites of PPARγ and To Inhibit Its Cdk5-Mediated Phosphorylation.
Laghezza A, Piemontese L, Cerchia C, Montanari R, Capelli D, Giudici M, Crestani M, Tortorella P, Peiretti F, Pochetti G, Lavecchia A, Loiodice F
J Med Chem 61 8282-8298 (2018)
PMID: 30199253

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153379 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peroxisome proliferator-activated receptor gamma Chains: A, B
Molecule details ›
Chains: A, B
Length: 287 amino acids
Theoretical weight: 32.69 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P37231 (Residues: 223-505; Coverage: 56%)
Gene names: NR1C3, PPARG
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand AXY 1 x AXY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: C2
Unit cell:
a: 93.04Å b: 62.53Å c: 119.05Å
α: 90° β: 102.31° γ: 90°
R-values:
R R work R free
0.243 0.242 0.287
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Natural Compounds for the Prevention and Treatment of Cardiovascular and Neurodegenerative Diseases.
Leuci et al. (2020)
2 more

2 mentions without citation

Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode.
Capelli et al. (2016)
1 more