3S9S

Ligand binding domain of PPARgamma complexed with a benzimidazole partial agonist

Summary for 3S9S

DescriptorPeroxisome proliferator-activated receptor gamma, Nuclear receptor coactivator 1, 1-(3,4-dichlorobenzyl)-2-methyl-N-[(1R)-1-phenylpropyl]-1H-benzimidazole-5-carboxamide, ... (4 entities in total)
Functional Keywordsppar, nuclear receptor, transcription
Biological sourceHomo sapiens (human)
Cellular locationNucleus P37231
Nucleus (By similarity) Q15788
Total number of polymer chains2
Total molecular weight34670.15
Authors
Lambert, M.H.,Xu, R.X. (deposition date: 2011-06-02, release date: 2012-06-06)
Primary citation
Sime, M.,Allan, A.C.,Chapman, P.,Fieldhouse, C.,Giblin, G.M.,Healy, M.P.,Lambert, M.H.,Leesnitzer, L.M.,Lewis, A.,Merrihew, R.V.,Rutter, R.A.,Sasse, R.,Shearer, B.G.,Wilson, T.M.,Xu, R.X.,Virley, D.J.
Discovery of GSK1997132B a novel centrally penetrant benzimidazole PPARgamma partial agonist.
Bioorg.Med.Chem.Lett., 21:5568-5572, 2011
PubMed: 21798739 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2011.06.088
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.55 Å)
NMR Information
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2824005.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report