Crystal structure of human PCAF bromodomain in complex with fragment BR013 (fragment 3)

Summary for 5FE2

DescriptorHistone acetyltransferase KAT2B, 2-methyl-3~{H}-isoindol-1-one, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywordssignaling protein, bromodomain, histone acetyltransferase kat2b, histone, acetylation, acetyllysine, epigenetics, structural genomics consortium (sgc)
Biological sourceHomo sapiens (Human)
Cellular locationNucleus  Q92831
Total number of polymer chains2
Total molecular weight28887.36
Chaikuad, A.,von Delft, F.,Bountra, C.,Arrowsmith, C.H.,Edwards, A.M.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2015-12-16, release date: 2016-01-13, Last modification date: 2016-03-30)
Primary citation
Chaikuad, A.,Lang, S.,Brennan, P.E.,Temperini, C.,Fedorov, O.,Hollander, J.,Nachane, R.,Abell, C.,Muller, S.,Siegal, G.,Knapp, S.
Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59:1648-1653, 2016
PubMed: 26731131 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.5b01719
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.241000 5.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-28