5UFO

Structure of RORgt bound to

Summary for 5UFO

Related5UFR
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
Authors
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
X-RAY DIFFRACTION (2.802 Å)
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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