Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13

Summary for 4PCE

DescriptorBromodomain-containing protein 4, 1,2-ETHANEDIOL, 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one, ... (4 entities in total)
Functional Keywordstranscription-transcription inhibitor complex, transcription/transcription inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationNucleus O60885
Total number of polymer chains1
Total molecular weight15414.79
Dong, J.,Caflisch, A. (deposition date: 2014-04-15, release date: 2014-05-07, Last modification date: 2017-11-22)
Primary citation
Zhao, H.,Gartenmann, L.,Dong, J.,Spiliotopoulos, D.,Caflisch, A.
Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24:2493-2496, 2014
PubMed: 24767840 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2014.04.017
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.1631000MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 4pce
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Molmil generated image of 4pce
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Molmil generated image of 4pce
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