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

Summary for 3B1M

DescriptorPeroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, (9aS)-8-acetyl-N-[(2-ethylnaphthalen-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 Keywordstranscription
Biological sourceHomo sapiens (human)
Cellular locationNucleus P37231 Q9UBK2
Total number of polymer chains2
Total molecular weight34993.5
Matsui, Y.,Hiroyuki, H. (deposition date: 2011-07-05, release date: 2011-08-24)
Primary citation
Wakabayashi, K.,Hayashi, S.,Matsui, Y.,Matsumoto, T.,Furukawa, A.,Kuroha, M.,Tanaka, N.,Inaba, T.,Kanda, S.,Tanaka, J.,Okuyama, R.,Wakimoto, S.,Ogata, T.,Araki, K.,Ohsumi, J.
Pharmacology and in Vitro Profiling of a Novel Peroxisome Proliferator-Activated Receptor gamma Ligand, Cerco-A
Biol.Pharm.Bull., 34:1094-1104, 2011
PubMed: 21720019 (PDB entries with the same primary citation)
DOI: 10.1248/bpb.34.1094
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.242500.4%14.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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