5FE9

Crystal structure of human PCAF bromodomain in complex with compound SL1122 (compound 13)

Summary for 5FE9

DescriptorHistone acetyltransferase KAT2B, ~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide, 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 weight28939.44
Authors
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
X-RAY DIFFRACTION (2.35 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.258100.5%6.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution