Crystal structure of BRD4 first bromodomain in complex with SGC-CBP30 chemical probe

Summary for 5BT4

DescriptorBromodomain-containing protein 4, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywordschromatin and transcription regulator, acetylation, structural genomics, structural genomics consortium, sgc, transcription
Biological sourceHomo sapiens (Human)
Cellular locationNucleus O60885
Total number of polymer chains3
Total molecular weight46949.4
Primary citation
Tallant, C.,Hay, D.,Krojer, T.,Nunez-Alonso, G.,Picaud, S.,Newman, J.A.,Fedorov, O.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Brennan, P.E.,Knapp, S.
Crystal structure of BRD4 first bromodomain in complex with a 3,5-dimethylisoxazol ligand
To Be Published,
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.225200.8%3.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution