X-ray crystal structure of a Potent Liver X Receptor Modulator

Summary for 3L0E

Related1P8D 1PQ6 1PQ9 1UPV
DescriptorOxysterols receptor LXR-beta, Nuclear receptor coactivator 2, N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide, ... (4 entities in total)
Functional Keywordshlxr-beta, human liver x receptor-beta, sulfonamide modulator, dna-binding, metal-binding, nucleus, receptor, transcription, transcription regulation, zinc-finger, activator, phosphoprotein
Biological sourceHomo sapiens (human)
Cellular locationNucleus  P55055 Q15596
Total number of polymer chains2
Total molecular weight30738.48
Gampe Jr., R.T. (deposition date: 2009-12-09, release date: 2010-04-07, Last modification date: 2017-11-01)
Primary citation
Zuercher, W.J.,Buckholz, R.G.,Campobasso, N.,Collins, J.L.,Galardi, C.M.,Gampe, R.T.,Hyatt, S.M.,Merrihew, S.L.,Moore, J.T.,Oplinger, J.A.,Reid, P.R.,Spearing, P.K.,Stanley, T.B.,Stewart, E.L.,Willson, T.M.
Discovery of tertiary sulfonamides as potent liver X receptor antagonists.
J.Med.Chem., 53:3412-3416, 2010
PubMed: 20345102 (PDB entries with the same primary citation)
DOI: 10.1021/jm901797p
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.26661.6%011.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report