5MPK

Crystal structure of CREBBP bromodomain complexed with DK19

Summary for 5MPK

DescriptorCREB-binding protein, ~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide (3 entities in total)
Functional Keywordscrebbp bromodomain, inhibitor, transcription
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight29315.64
Authors
Zhu, J.,Caflisch, A. (deposition date: 2016-12-16, release date: 2018-01-17, Last modification date: 2018-10-10)
Primary citation
Zhu, J.,Dong, J.,Batiste, L.,Unzue, A.,Dolbois, A.,Pascanu, V.,Sledz, P.,Nevado, C.,Caflisch, A.
Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9:929-934, 2018
PubMed: 30258543 (PDB entries with the same primary citation)
DOI: 10.1021/acsmedchemlett.8b00286
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.9 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.23920 1.0% 4.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution