Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator

Summary for 3V9T

Related3B1M 3LMP 3V9V 3V9Y
DescriptorPeroxisome proliferator-activated receptor gamma, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, (9aS)-8-acetyl-N-[(3-ethoxynaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, ... (4 entities in total)
Functional Keywordsthree-layered alpha-helical sandwich, transcription regulation, transcription-transcription regulator complex, transcription/transcription regulator
Biological sourceHomo sapiens (human)
Cellular locationNucleus P37231 Q9UBK2
Total number of polymer chains2
Total molecular weight35009.49
Matsui, Y.,Hanzawa, H. (deposition date: 2011-12-28, release date: 2012-02-01)
Primary citation
Furukawa, A.,Arita, T.,Fukuzaki, T.,Satoh, S.,Mori, M.,Honda, T.,Matsui, Y.,Wakabayashi, K.,Hayashi, S.,Araki, K.,Ohsumi, J.
Substituents at the naphthalene C3 position of (-)-Cercosporamide derivatives significantly affect the maximal efficacy as PPAR(gamma) partial agonists
Bioorg.Med.Chem.Lett., 22:1348-1351, 2012
PubMed: 22225641 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2011.12.066
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.23820012.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report