6FQO

Crystal structure of CREBBP bromodomain complexd with DT29

Summary for 6FQO

DescriptorCREB-binding protein, ~{N}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywordsinhibitor, bromodomain, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight29491.79
Authors
Zhu, J.,Caflisch, A. (deposition date: 2018-02-14, release date: 2018-08-29, 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 (1.35 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.19420 0.5% 6.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution