Crystal structure of CREBBP bromodomain complexed with FA26

Summary for 5MPN

DescriptorCREB-binding protein, 1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywordscrebbp bromodomain, inhibitor, transcription
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight14964.16
Zhu, J.,Caflisch, A. (deposition date: 2016-12-16, release date: 2018-01-17, Last modification date: 2019-10-16)
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

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.167300 1.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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