Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO3S

Summary for 3AN3

DescriptorPeroxisome proliferator-activated receptor gamma, (2S)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid (3 entities in total)
Functional Keywordsmainly alpha, nuclear receptor, transcription
Biological sourceHomo sapiens (human)
Cellular locationNucleus P37231
Total number of polymer chains2
Total molecular weight65627.05
Oyama, T.,Ohashi, M.,Waku, T.,Miyachi, H.,Morikawa, K. (deposition date: 2010-08-30, release date: 2011-07-27)
Primary citation
Ohashi, M.,Oyama, T.,Nakagome, I.,Satoh, M.,Nishio, Y.,Nobusada, H.,Hirono, S.,Morikawa, K.,Hashimoto, Y.,Miyachi, H.
Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54:331-341, 2011
PubMed: 21128600 (PDB entries with the same primary citation)
DOI: 10.1021/jm101233f
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.27119 2.0% 2.6% 6.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-21