Structure of RORgt bound to

Summary for 5UFO

DescriptorNuclear receptor ROR-gamma, (S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol (2 entities in total)
Functional Keywordsnuclear hormone receptor, nuclear protein
Biological sourceHomo sapiens (Human)
Cellular locationNucleus  P51449
Total number of polymer chains1
Total molecular weight30705.7
Spurlino, J. (deposition date: 2017-01-05, release date: 2017-04-05, Last modification date: 2017-04-26)
Primary citation
Kummer, D.A.,Cummings, M.D.,Abad, M.,Barbay, J.,Castro, G.,Wolin, R.,Kreutter, K.D.,Maharoof, U.,Milligan, C.,Nishimura, R.,Pierce, J.,Schalk-Hihi, C.,Spurlino, J.,Urbanski, M.,Venkatesan, H.,Wang, A.,Woods, C.,Xue, X.,Edwards, J.P.,Fourie, A.M.,Leonard, K.
Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27:2047-2057, 2017
PubMed: 28318945 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2017.02.044
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2501001.5%0.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report