Crystal Structure of PPAR Gamma with N-sulfonyl-2-indole carboxamide ligands

Summary for 2HFP

DescriptorPeroxisome proliferator-activated receptor gamma, SRC Peptide Fragment, 3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-INDOLE-2-CARBOXAMIDE, ... (4 entities in total)
Functional Keywordsppar ppargamma lbd, transcription
Biological sourceHomo sapiens (human)
Cellular locationNucleus Q86U60
Total number of polymer chains2
Total molecular weight36028.53
Pokross, M.E.,Evdokimov, A.G.,Walter, R.L.,Mekel, M.J.,Hopkins, C.R. (deposition date: 2006-06-25, release date: 2006-09-19, Last modification date: 2011-07-13)
Primary citation
Hopkins, C.R.,O'neil, S.V.,Laufersweiler, M.C.,Wang, Y.,Pokross, M.,Mekel, M.,Evdokimov, A.,Walter, R.,Kontoyianni, M.,Petrey, M.E.,Sabatakos, G.,Roesgen, J.T.,Richardson, E.,Demuth Jr., T.P.
Design and synthesis of novel N-sulfonyl-2-indole carboxamides as potent PPAR-gamma binding agents with potential application to the treatment of osteoporosis.
Bioorg.Med.Chem.Lett., 16:5659-5663, 2006
PubMed: 16919947 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2006.08.003
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.283233.9%5.4%2.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report