Crystal structure of PPARgamma ligand binding domain in complex with monosulfate tetrabromo-bisphenol A (MonoTBBPA)

Summary for 3PBA

DescriptorPeroxisome proliferator-activated receptor gamma, 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate, S-1,2-PROPANEDIOL, ... (4 entities in total)
Functional Keywordstranscription, ligand binding protein
Biological sourceHomo sapiens (human)
Cellular locationNucleus P37231
Total number of polymer chains2
Total molecular weight65945.52
le Maire, A.,Bourguet, W. (deposition date: 2010-10-20, release date: 2011-06-08, Last modification date: 2011-08-31)
Primary citation
Riu, A.,le Maire, A.,Grimaldi, M.,Audebert, M.,Hillenweck, A.,Bourguet, W.,Balaguer, P.,Zalko, D.
Characterization of Novel Ligands of ER{alpha}, Er{beta}, and PPAR{gamma}: The Case of Halogenated Bisphenol A and Their Conjugated Metabolites.
Toxicol Sci, 122:372-382, 2011
PubMed: 21622942 (PDB entries with the same primary citation)
DOI: 10.1093/toxsci/kfr132
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.252100.4%2.1%5.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report