5HCL

Crystal Structure of the first bromodomain of BRD4 in complex with DMA

Summary for 5HCL

DescriptorBromodomain-containing protein 4, ~{N},~{N}-dimethylethanamide, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywordstranscription-transcription inhibitor complex, transcription/transcription inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationNucleus O60885
Total number of polymer chains1
Total molecular weight15248.57
Authors
Dong, J.,Weber, F.E.,Caflisch, A. (deposition date: 2016-01-04, release date: 2017-01-25, Last modification date: 2017-02-22)
Primary citation
Ghayor, C.,Gjoksi, B.,Dong, J.,Siegenthaler, B.,Caflisch, A.,Weber, F.E.
N,N Dimethylacetamide a drug excipient that acts as bromodomain ligand for osteoporosis treatment.
Sci Rep, 7:42108-42108, 2017
PubMed: 28176838 (PDB entries with the same primary citation)
DOI: 10.1038/srep42108
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.5 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.1403000.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 5hcl
no rotation
Molmil generated image of 5hcl
rotated about x axis by 90°
Molmil generated image of 5hcl
rotated about y axis by 90°