Crystal structure of human PPAR-gamma-ligand binding domain complexed with an indole-based modulator

Summary for 2P4Y

DescriptorPeroxisome proliferator-activated receptor gamma, (2R)-2-(4-CHLORO-3-{[3-(6-METHOXY-1,2-BENZISOXAZOL-3-YL)-2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-1-YL]METHYL}PHENOXY)PROPANOIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... (4 entities in total)
Functional Keywordsnuclear receptor, ligand binding domain, lbd, alpha helix sandwich, ppar-homodimer, sppargm, partial agonist, transcription
Biological sourceHomo sapiens (human)
Cellular locationNucleus P37231
Total number of polymer chains2
Total molecular weight64459.3
McKeever, B.M. (deposition date: 2007-03-13, release date: 2008-01-08, Last modification date: 2011-07-13)
Primary citation
Einstein, M.,Akiyama, T.E.,Castriota, G.A.,Wang, C.F.,McKeever, B.,Mosley, R.T.,Becker, J.W.,Moller, D.E.,Meinke, P.T.,Wood, H.B.,Berger, J.P.
The differential interactions of peroxisome proliferator-activated receptor gamma ligands with Tyr473 is a physical basis for their unique biological activities.
Mol.Pharmacol., 73:62-74, 2008
PubMed: 17940191 (PDB entries with the same primary citation)
DOI: 10.1124/mol.107.041202
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.273170.4%8.8%2.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report