› 3bc5

X-ray diffraction
2.27Å resolution

X-ray crystal structure of human ppar gamma with 2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid

Released:
DOI: 10.2210/pdb3bc5/pdb
PDB entry 3bc5 coloured by chain, front view.
PDB entry 3bc5 coloured by chain, side view.
PDB entry 3bc5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design, synthesis and structure-activity relationships of azole acids as novel, potent dual PPAR alpha/gamma agonists.
Zhang H, Ryono DE, Devasthale P, Wang W, O'Malley K, Farrelly D, Gu L, Harrity T, Cap M, Chu C, Locke K, Zhang L, Lippy J, Kunselman L, Morgan N, Flynn N, Moore L, Hosagrahara V, Zhang L, Kadiyala P, Xu C, Doweyko AM, Bell A, Chang C, Muckelbauer J, Zahler R, Hariharan N, Cheng PT
Bioorg Med Chem Lett 19 1451-6 (2009)
PMID: 19201606

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153368 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peroxisome proliferator-activated receptor gamma Chain: A
Molecule details ›
Chain: A
Length: 296 amino acids
Theoretical weight: 33.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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 ZAA 1 x ZAA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P43212
Unit cell:
a: 66.3Å b: 66.3Å c: 156.3Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.212 0.21 0.249
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Growing applications of "click chemistry" for bioconjugation in contemporary biomedical research.
Nwe et al. (2009)
2 more

4 mentions without citation

Identification of PPARgamma partial agonists of natural origin (I): development of a virtual screening procedure and in vitro validation.
Guasch et al. (2012)
3 more