Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with CAY10506

Summary for 6DGQ

DescriptorPeroxisome proliferator-activated receptor gamma, N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide (3 entities in total)
Functional Keywordsnuclear receptors, tzds, drug design, therapeutic targets, transcription, transcription-transcription inhibitor complex, transcription/transcription inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight63467.77
Shang, J.,Kojetin, D.J. (deposition date: 2018-05-17, release date: 2019-05-22, Last modification date: 2019-12-25)
Primary citation
Shang, J.,Brust, R.,Griffin, P.R.,Kamenecka, T.M.,Kojetin, D.J.
Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116:22179-22188, 2019
PubMed: 31611383 (PDB entries with the same primary citation)
DOI: 10.1073/pnas.1909016116
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.24613 0.8% 2.9% 7.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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