Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid

Summary for 3HO0

Related3B3K 3HOD
DescriptorPeroxisome proliferator-activated receptor gamma, (2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid (3 entities in total)
Functional Keywordsbundle of alpha-helices, small four-stranded beta-sheet, transcription, activator, alternative splicing, diabetes mellitus, disease mutation, dna-binding, metal-binding, nucleus, obesity, phosphoprotein, polymorphism, receptor, transcription regulation, zinc, zinc-finger
Biological sourceHomo sapiens (Human)
Cellular locationNucleus P37231
Total number of polymer chains2
Total molecular weight65407.72
Pochetti, G.,Montanari, R.,Mazza, F.,Loiodice, F.,Fracchiolla, G.,Laghezza, A.,Lavecchia, A.,Novellino, E. (deposition date: 2009-06-01, release date: 2009-10-27, Last modification date: 2011-07-13)
Primary citation
Fracchiolla, G.,Laghezza, A.,Piemontese, L.,Tortorella, P.,Mazza, F.,Montanari, R.,Pochetti, G.,Lavecchia, A.,Novellino, E.,Pierno, S.,Conte Camerino, D.,Loiodice, F.
New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function
J.Med.Chem., 52:6382-6393, 2009
PubMed: 19775169 (PDB entries with the same primary citation)
DOI: 10.1021/jm900941b
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.313204.3%6.2%7.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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