Crystal Structure of Human PPAR-gamma Ligand Binding Domain Complexed with a Potent and Selective Agonist

Summary for 3GBK

DescriptorPeroxisome proliferator-activated receptor gamma, 2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid (3 entities in total)
Functional Keywordsppar aganists, x-ray co-crystal analysis, structure-based drug design, selective, type ii diabetes, activator, alternative splicing, diabetes mellitus, disease mutation, dna-binding, metal-binding, nucleus, obesity, phosphoprotein, polymorphism, receptor, transcription, transcription regulation, zinc, zinc-finger, ligand binding protein
Biological sourceHomo sapiens (Human)
Cellular locationNucleus P37231
Total number of polymer chains2
Total molecular weight62585.78
Peng, Y.-H.,Lin, C.-H.,Hsieh, H.-P.,Wu, S.-Y. (deposition date: 2009-02-19, release date: 2009-12-29, Last modification date: 2011-07-13)
Primary citation
Lin, C.-H.,Peng, Y.-H.,Coumar, M.S.,Chittimalla, S.K.,Liao, C.-C.,Lyn, P.-C.,Huang, C.-C.,Lien, T.-W.,Lin, W.-H.,Hsu, J.T.-A.,Cheng, J.-H.,Chen, X.,Wu, J.-S.,Chao, Y.-S.,Lee, H.-J.,Juo, C.-G.,Wu, S.-Y.,Hsieh, H.-P.
Design and structural analysis of novel pharmacophores for potent and selective peroxisome proliferator-activated receptor gamma agonists
J.Med.Chem., 52:2618-2622, 2009
PubMed: 19301897 (PDB entries with the same primary citation)
DOI: 10.1021/jm801594x
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.294102.4%10.2%10.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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