› 3ty0

X-ray diffraction
2Å resolution

Structure of PPARgamma ligand binding domain in complex with (R)-5-(3-((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)-5-methyloxazolidine-2,4-dione

Released:
DOI: 10.2210/pdb3ty0/pdb
PDB entry 3ty0 coloured by chain, front view.
PDB entry 3ty0 coloured by chain, side view.
PDB entry 3ty0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Benzimidazolones: a new class of selective peroxisome proliferator-activated receptor γ (PPARγ) modulators.
Liu W, Lau F, Liu K, Wood HB, Zhou G, Chen Y, Li Y, Akiyama TE, Castriota G, Einstein M, Wang C, McCann ME, Doebber TW, Wu M, Chang CH, McNamara L, McKeever B, Mosley RT, Berger JP, Meinke PT
J Med Chem 54 8541-54 (2011)
PMID: 22070604

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: 277 amino acids
Theoretical weight: 31.59 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P37231 (Residues: 231-505; Coverage: 55%)
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 082 2 x 082
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: C2
Unit cell:
a: 92.51Å b: 61.448Å c: 119.914Å
α: 90° β: 103.39° γ: 90°
R-values:
R R work R free
0.236 0.234 0.273
Expression system: Not provided

Quick links

Citations

3 review citations

MITF in melanoma: mechanisms behind its expression and activity.
Hartman et al. (2015)
2 more

4 mentions without citation

Benzisoxazole: a privileged scaffold for medicinal chemistry.
Rakesh et al. (2017)
3 more