› 3t03

X-ray diffraction
2.1Å resolution

Crystal structure of PPAR gamma ligand binding domain in complex with a novel partial agonist GQ-16

Released:
DOI: 10.2210/pdb3t03/pdb
PDB entry 3t03 coloured by chain, front view.
PDB entry 3t03 coloured by chain, side view.
PDB entry 3t03 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
GQ-16, a novel peroxisome proliferator-activated receptor γ (PPARγ) ligand, promotes insulin sensitization without weight gain.
Amato AA, Rajagopalan S, Lin JZ, Carvalho BM, Figueira AC, Lu J, Ayers SD, Mottin M, Silveira RL, Souza PC, Mourão RH, Saad MJ, Togashi M, Simeoni LA, Abdalla DS, Skaf MS, Polikparpov I, Lima MC, Galdino SL, Brennan RG, Baxter JD, Pitta IR, Webb P, Phillips KJ, Neves FA
J Biol Chem 287 28169-79 (2012)
PMID: 22584573

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + [protein]-L-lysine = CoA + [protein]-N(6)-acetyl-L-lysine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153375 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Peroxisome proliferator-activated receptor gamma Chains: A, B
Molecule details ›
Chains: A, B
Length: 284 amino acids
Theoretical weight: 32.4 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P37231 (Residues: 234-505; Coverage: 54%)
Gene names: NR1C3, PPARG
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Nuclear receptor coactivator 1 Chains: C, D
Molecule details ›
Chains: C, D
Length: 18 amino acids
Theoretical weight: 2.12 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15788 (Residues: 683-700; Coverage: 1%)
Gene names: BHLHE74, NCOA1, SRC1

Ligands and Environments

1 bound ligand:
Ligand 3T0 2 x 3T0
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P212121
Unit cell:
a: 83.69Å b: 84.39Å c: 96.98Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.212 0.208 0.247
Expression system: Not provided

Quick links

Citations

14 review citations

Thiazolidinediones and the promise of insulin sensitization in type 2 diabetes.
Soccio et al. (2014)
13 more

8 mentions without citation

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