Crystal Structure of the complex between PPARgamma LBD and the LT175(R-enantiomer)

Summary for 3D6D

Related3B3K 1FM9 2Q5S 2Q6S 2REW
DescriptorPeroxisome proliferator-activated receptor gamma, (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid (3 entities in total)
Functional Keywordsbundle of alpha-helices and a small four-stranded beta-sheet, activator, alternative splicing, diabetes mellitus, disease mutation, dna-binding, metal-binding, nucleus, obesity, phosphoprotein, polymorphism, receptor, transcription, transcription regulation, zinc, zinc-finger
Biological sourceHomo sapiens (Human)
Cellular locationNucleus P37231
Total number of polymer chains2
Total molecular weight65379.67
Pochetti, G.,Montanari, R. (deposition date: 2008-05-19, release date: 2008-12-30, Last modification date: 2011-07-13)
Primary citation
Montanari, R.,Saccoccia, F.,Scotti, E.,Crestani, M.,Godio, C.,Gilardi, F.,Loiodice, F.,Fracchiolla, G.,Laghezza, A.,Tortorella, P.,Lavecchia, A.,Novellino, E.,Mazza, F.,Aschi, M.,Pochetti, G.
Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51:7768-7776, 2008
PubMed: 19053776 (PDB entries with the same primary citation)
DOI: 10.1021/jm800733h
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.295202.6%5.6%11.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report