Structure of PPARgamma with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid

Summary for 3ET3

Related3ET0 3ET1 3ET2
DescriptorPeroxisome proliferator-activated receptor gamma, Steroid receptor coactivator 1, 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, ... (4 entities in total)
Functional Keywordsppar, pparg, ppargamma, drug discovery, diabetes, adiponectin, metabolic disease, fragment-based drug discovery, scaffold-based drug discovery, activator, alternative splicing, diabetes mellitus, disease mutation, dna-binding, metal-binding, nucleus, obesity, phosphoprotein, polymorphism, receptor, transcription, transcription regulation, zinc, zinc-finger, acyltransferase, chromosomal rearrangement, proto-oncogene, transferase, ubl conjugation
Biological sourceHomo sapiens (human)
Cellular locationNucleus P37231
Nucleus (By similarity) Q15788
Total number of polymer chains2
Total molecular weight35663.31
Zhang, K.Y.J.,Wang, W. (deposition date: 2008-10-06, release date: 2009-02-17, Last modification date: 2011-07-13)
Primary citation
Artis, D.R.,Lin, J.J.,Zhang, C.,Wang, W.,Mehra, U.,Perreault, M.,Erbe, D.,Krupka, H.I.,England, B.P.,Arnold, J.,Plotnikov, A.N.,Marimuthu, A.,Nguyen, H.,Will, S.,Signaevsky, M.,Kral, J.,Cantwell, J.,Settachatgull, C.,Yan, D.S.,Fong, D.,Oh, A.,Shi, S.,Womack, P.,Powell, B.,Habets, G.,West, B.L.,Zhang, K.Y.,Milburn, M.V.,Vlasuk, G.P.,Hirth, K.P.,Nolop, K.,Bollag, G.,Ibrahim, P.N.,Tobin, J.F.
Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106:262-267, 2009
PubMed: 19116277 (PDB entries with the same primary citation)
DOI: 10.1073/pnas.0811325106
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.25081.1%2.8%4.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report