2HFP

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)
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Cellular locationNucleus Q86U60
Total number of polymer chains2
Total molecular weight36028.53
Authors
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
X-RAY DIFFRACTION (2 Å)
NMR Information
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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