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

Summary for 4F9M

Related3LMP 3B1M 3V9T 3V9Y 3V9V
DescriptorPeroxisome proliferator-activated receptor gamma, peptide from Nuclear receptor coactivator 1, (9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-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
Nucleus (By similarity) Q15788
Total number of polymer chains2
Total molecular weight34720.18
Matsui, Y.,Hanzawa, H. (deposition date: 2012-05-19, release date: 2012-08-08)
Primary citation
Furukawa, A.,Arita, T.,Fukuzaki, T.,Mori, M.,Honda, T.,Satoh, S.,Matsui, Y.,Wakabayashi, K.,Hayashi, S.,Nakamura, K.,Araki, K.,Kuroha, M.,Tanaka, J.,Wakimoto, S.,Suzuki, O.,Ohsumi, J.
Synthesis and biological evaluation of novel (-)-cercosporamide derivatives as potent selective PPARg modulators
Eur.J.Med.Chem., 54:522-533, 2012
PubMed: 22727448 (PDB entries with the same primary citation)
DOI: 10.1016/j.ejmech.2012.05.040
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2521301.2%13.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report