Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment 4-acetyl- piperazin-2-one (SGC - Diamond I04-1 fragment screening)

Summary for 5AME

DescriptorBROMODOMAIN-CONTAINING PROTEIN 1, 4-acetyl-piperazin-2-one, SODIUM ION, ... (4 entities in total)
Functional Keywordstranscription, histone-binding protein, bromodomain, epigenetic, fragmentscreening, structural genomics consortium, sgc, diamond i04-1
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains2
Total molecular weight31671.16
Primary citation
Pearce, N.M.,Fairhead, M.,Strain-Damerell, C.,Talon, R.,Wright, N.,Ng, J.T.,Bradley, A.,Cox, O.,Bowkett, D.,Collins, P.,Brandao-Neto, J.,Douangamath, A.,Krojer, T.,Burgess-Brown, N.,Brennan, P.,Arrowsmith, C.H.,Edwards, E.,Bountra, C.,von Delft, F.
Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One
To be Published,
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.204200 4.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution