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

Summary for 3T03

DescriptorPeroxisome proliferator-activated receptor gamma, Nuclear receptor coactivator 1, (5Z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione, ... (4 entities in total)
Functional Keywordsprotein-drug complex, thiazolidinediones, ligand binding protein, transcription factor, nucleus receptor, transcription-transcription regulator complex, transcription/transcription regulator
Biological sourceHomo sapiens (human)
Cellular locationNucleus P37231
Nucleus (By similarity) Q15788
Total number of polymer chains4
Total molecular weight69874.53
Rajagopalan, S.,Webb, P.,Baxter, J.D.,Brennan, R.G.,Phillips, K.J. (deposition date: 2011-07-19, release date: 2012-05-23, Last modification date: 2013-06-19)
Primary citation
Amato, A.A.,Rajagopalan, S.,Lin, J.Z.,Carvalho, B.M.,Figueira, A.C.,Lu, J.,Ayers, S.D.,Mottin, M.,Silveira, R.L.,Souza, P.C.,Mourao, R.H.,Saad, M.J.,Togashi, M.,Simeoni, L.A.,Abdalla, D.S.,Skaf, M.S.,Polikparpov, I.,Lima, M.C.,Galdino, S.L.,Brennan, R.G.,Baxter, J.D.,Pitta, I.R.,Webb, P.,Phillips, K.J.,Neves, F.A.
GQ-16, a novel peroxisome proliferator-activated receptor (PPAR gamma) ligand, promotes insulin sensitization without weight gain.
J.Biol.Chem., 287:28169-28179, 2012
PubMed: 22584573 (PDB entries with the same primary citation)
DOI: 10.1074/jbc.M111.332106
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.244120.2%1.1%3.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report