Crystal structure of PPAR-gamma LBD complexed with a partial agonist, analogue of clofibric acid

Summary for 3CDP

Related1K74 3CDS
DescriptorPeroxisome proliferator-activated receptor gamma, (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid (3 entities in total)
Functional Keywordsbundle of alpha-helices and a small four-stranded beta-sheet, activator, diabetes mellitus, disease mutation, dna-binding, metal-binding, nucleus, obesity, phosphoprotein, receptor, transcription, transcription regulation, zinc-finger
Biological sourceHomo sapiens (Human)
Cellular locationNucleus P37231
Total number of polymer chains2
Total molecular weight65338.02
Pochetti, G.,Montanari, R.,Mazza, F. (deposition date: 2008-02-27, release date: 2009-01-13, Last modification date: 2013-12-25)
Primary citation
Fracchiolla, G.,Laghezza, A.,Piemontese, L.,Parente, M.,Lavecchia, A.,Pochetti, G.,Montanari, R.,Di Giovanni, C.,Carbonara, G.,Tortorella, P.,Novellino, E.,Loiodice, F.
Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors alpha/gamma dual agonists
Bioorg.Med.Chem., 20:2141-2151, 2012
PubMed: 22341573 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmc.2012.01.025
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.292243.0%6.4%4.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report