6CKS

Crystal Structure of BRD4 with QC4956

Summary for 6CKS

DescriptorBromodomain-containing protein 4, 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one (3 entities in total)
Functional Keywordsbrd4, acetyllysine, epigenetics, gene regulation-inhibitor complex, gene regulation/inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationNucleus O60885
Total number of polymer chains1
Total molecular weight15449.81
Authors
Hosfield, D.J. (deposition date: 2018-02-28, release date: 2018-05-02, Last modification date: 2018-05-16)
Primary citation
Bennett, M.J.,Wu, Y.,Boloor, A.,Matuszkiewicz, J.,O'Connell, S.M.,Shi, L.,Stansfield, R.K.,Del Rosario, J.R.,Veal, J.M.,Hosfield, D.J.,Xu, J.,Kaldor, S.W.,Stafford, J.A.,Betancort, J.M.
Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors.
Bioorg. Med. Chem. Lett., 28:1811-1816, 2018
PubMed: 29657099 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2018.04.016
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.72 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.218304.2%1.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6cks
no rotation
Molmil generated image of 6cks
rotated about x axis by 90°
Molmil generated image of 6cks
rotated about y axis by 90°