5OWK

Crystal structure of CREBBP bromodomain complexed with DSPB2A002

Summary for 5OWK

DescriptorCREB-binding protein, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate (3 entities in total)
Functional Keywordscrebbp bromodomain, inhibitor, transcription
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight14654.62
Authors
Zhu, J.,Spiliotopoulos, D.,Caflisch, A. (deposition date: 2017-09-01, 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 (1.25 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.17620 1.0% 3.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution