4O74

Crystal structure of the first bromodomain of human BRD4 in complex with BI 2536

Summary for 4O74

Related4O70 4O71 4O72 4O73 4O75 4O76 4O77 4O78 4O7A 4O7B 4O7C 4O7E 4O7F
DescriptorBromodomain-containing protein 4, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, 1,2-ETHANEDIOL, ... (5 entities in total)
Functional Keywordsbromodomain, cap, hunk1, mcap, protein binding-inhibitor complex, mitotic chromosome associated protein, cell cycle, inhibitor, transcription-inhibitor complex, transcription/inhibitor
Biological sourceHomo sapiens (human)
Cellular locationNucleus O60885
Total number of polymer chains2
Total molecular weight31534.39
Authors
Ember, S.W.,Zhu, J.-Y.,Watts, C.,Schonbrunn, E. (deposition date: 2013-12-24, release date: 2014-03-05, Last modification date: 2014-05-28)
Primary citation
Ember, S.W.,Zhu, J.Y.,Olesen, S.H.,Martin, M.P.,Becker, A.,Berndt, N.,Georg, G.I.,Schonbrunn, E.
Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9:1160-1171, 2014
PubMed: 24568369 (PDB entries with the same primary citation)
DOI: 10.1021/cb500072z
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.45 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.178400.8%7.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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More Biological unit images

Molmil generated image of 4o74
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Molmil generated image of 4o74
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(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (4o74.pdb1.gz [72.62 KB])
Coordinate files for Biological unit (4o74.pdb2.gz [72.18 KB])