6CZU

BRD4(BD1) complexed with 3219

Summary for 6CZU

DescriptorBromodomain-containing protein 4, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1R)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1H)-one, 1,2-ETHANEDIOL, ... (5 entities in total)
Functional Keywordsbromodomain, brd4, transcription-inhibitor complex, transcription/inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight16166.58
Authors
Lakshminarasimhan, D.,White, A.,Suto, R.K. (deposition date: 2018-04-09, release date: 2018-09-26, Last modification date: 2018-10-10)
Primary citation
Kharenko, O.A.,Patel, R.G.,Brown, S.D.,Calosing, C.,White, A.,Lakshminarasimhan, D.,Suto, R.K.,Duffy, B.C.,Kitchen, D.B.,McLure, K.G.,Hansen, H.C.,van der Horst, E.H.,Young, P.R.
Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine.
J. Med. Chem., 61:8202-8211, 2018
PubMed: 30165024 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.8b00666
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.47 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.19320 1.6%0MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution