Crystal Structure of the human BRD2 BD1 bromodomain in complex with a Tetrahydroquinoline analogue

Summary for 6DDI

DescriptorBromodomain-containing protein 2, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, SULFATE ION, ... (6 entities in total)
Functional Keywordsbet, brd2, bromodomain, inhibitor, complex, transcription, transcription-inhibitor complex, transcription/inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains3
Total molecular weight49945.17
White, S.W.,Yun, M. (deposition date: 2018-05-10, release date: 2019-11-13, Last modification date: 2020-11-25)
Primary citation
Slavish, P.J.,Chi, L.,Yun, M.K.,Tsurkan, L.,Martinez, N.E.,Jonchere, B.,Chai, S.C.,Connelly, M.,Waddell, M.B.,Das, S.,Neale, G.,Li, Z.,Shadrick, W.R.,Olsen, R.R.,Freeman, K.W.,Low, J.A.,Price, J.E.,Young, B.M.,Bharatham, N.,Boyd, V.A.,Yang, J.,Lee, R.E.,Morfouace, M.,Roussel, M.F.,Chen, T.,Savic, D.,Guy, R.K.,White, S.W.,Shelat, A.A.,Potter, P.M.
Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80:3507-3518, 2020
PubMed: 32651255 (PDB entries with the same primary citation)
DOI: 10.1158/0008-5472.CAN-19-3934
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.17420 0.3% 5.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-11-25