› 3r8a

X-ray diffraction
2.41Å resolution

X-ray crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a compound with dual PPAR gamma agonism and Angiotensin II Type I receptor antagonism activity

Released:
DOI: 10.2210/pdb3r8a/pdb
PDB entry 3r8a coloured by chain, front view.
PDB entry 3r8a coloured by chain, side view.
PDB entry 3r8a coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a series of imidazo[4,5-b]pyridines with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-γ.
Casimiro-Garcia A, Filzen GF, Flynn D, Bigge CF, Chen J, Davis JA, Dudley DA, Edmunds JJ, Esmaeil N, Geyer A, Heemstra RJ, Jalaie M, Ohren JF, Ostroski R, Ellis T, Schaum RP, Stoner C
J Med Chem 54 4219-33 (2011)
PMID: 21557540

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 282 amino acids
Theoretical weight: 32.33 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P37231 (Residues: 235-505; Coverage: 54%)
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 HIG 2 x HIG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: C2
Unit cell:
a: 92.697Å b: 61.831Å c: 118.936Å
α: 90° β: 102.04° γ: 90°
R-values:
R R work R free
0.233 0.23 0.281
Expression system: Escherichia coli

Quick links

Citations

2 review citations

A systematic comparison of the properties of clinically used angiotensin II type 1 receptor antagonists.
Michel et al. (2013)
1 more

4 mentions without citation

Review of the Structural and Dynamic Mechanisms of PPARγ Partial Agonism.
Kroker et al. (2015)
3 more