3PEQ

PPARd complexed with a phenoxyacetic acid partial agonist

Summary for 3PEQ

DescriptorPeroxisome proliferator-activated receptor delta, [(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid, hexyl beta-D-glucopyranoside, ... (5 entities in total)
Functional Keywordsppar nuclear receptor, transcription-transcription agonist complex, transcription/transcription agonist
Biological sourceHomo sapiens (human)
Cellular locationNucleus Q03181
Total number of polymer chains2
Total molecular weight64687.89
Authors
Primary citation
Evans, K.A.,Shearer, B.G.,Wisnoski, D.D.,Shi, D.,Sparks, S.M.,Sternbach, D.D.,Winegar, D.A.,Billin, A.N.,Britt, C.,Way, J.M.,Epperly, A.H.,Leesnitzer, L.M.,Merrihew, R.V.,Xu, R.X.,Lambert, M.H.,Jin, J.
Phenoxyacetic acid PPARd partial agonists for the treatment of type 2 diabetes: synthesis, optimization, and in vivo efficacy
Bioorg.Med.Chem.Lett., 21:2345-2350, 2011
PubMed: 21414782 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2011.02.077
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.4 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.24130.2%05.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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