5Y8W

Crystal Structure Analysis of the BRD4

Summary for 5Y8W

DescriptorBromodomain-containing protein 4, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, 1,2-ETHANEDIOL, ... (7 entities in total)
Functional Keywordsbrd4(1), bromodomain, transcription
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight17668
Authors
Xu, Y.,Zhang, Y.,Song, M.,Wang, C. (deposition date: 2017-08-21, release date: 2018-06-13)
Primary citation
Zhang, M.,Zhang, Y.,Song, M.,Xue, X.,Wang, J.,Wang, C.,Zhang, C.,Li, C.,Xiang, Q.,Zou, L.,Wu, X.,Wu, C.,Dong, B.,Xue, W.,Zhou, Y.,Chen, H.,Wu, D.,Ding, K.,Xu, Y.
Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61:3037-3058, 2018
PubMed: 29566488 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.8b00103
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.76 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.240102.6%0.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 5y8w
no rotation
Molmil generated image of 5y8w
rotated about x axis by 90°
Molmil generated image of 5y8w
rotated about y axis by 90°
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