Structural basis for the structure-activity relationships of Peroxisome Proliferator-Activated Receptor agonists

Summary for 2HWR

DescriptorPeroxisome proliferator-activated receptor gamma, 2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-YL)OXY]-2-METHYLPROPANOIC ACID (3 entities in total)
Functional Keywordsppar, ligand binding protein
Biological sourceHomo sapiens (human)
Cellular locationNucleus P37231
Total number of polymer chains2
Total molecular weight62543.7
Peng, Y.H.,Lu, I.L.,Mahindroo, N.,Lin, C.H.,Hsieh, H.P.,Wu, S.Y. (deposition date: 2006-08-01, release date: 2007-08-07, Last modification date: 2011-07-13)
Primary citation
Mahindroo, N.,Peng, Y.H.,Lin, C.H.,Tan, U.K.,Prakash, E.,Lien, T.W.,Lu, I.L.,Lee, H.J.,Hsu, J.T.A.,Chen, X.,Liao, C.C.,Lyu, P.C.,Chao, Y.S.,Wu, S.Y.,Hsieh, H.P.
Structural basis for the structure-activity relationships of peroxisome proliferator-activated receptor agonists
J.Med.Chem., 49:6421-6424, 2006
PubMed: 17034149 (PDB entries with the same primary citation)
DOI: 10.1021/jm060663c
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.304101.6%9.8%7.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report