1.68A STRUCTURE PCAF BROMODOMAIN WITH 4-chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one

Summary for 5MKX

DescriptorHistone acetyltransferase KAT2B, 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one, SULFATE ION, ... (6 entities in total)
Functional Keywordsinhibitor, histone, epigenetic reader, bromodomain, pcaf, antagonist, transcription
Biological sourceHomo sapiens (Human)
Cellular locationNucleus  Q92831
Total number of polymer chains2
Total molecular weight29116.43
Chung, c.-w. (deposition date: 2016-12-05, release date: 2017-12-20, Last modification date: 2018-01-24)
Primary citation
Humphreys, P.G.,Bamborough, P.,Chung, C.W.,Craggs, P.D.,Gordon, L.,Grandi, P.,Hayhow, T.G.,Hussain, J.,Jones, K.L.,Lindon, M.,Michon, A.M.,Renaux, J.F.,Suckling, C.J.,Tough, D.F.,Prinjha, R.K.
Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60:695-709, 2017
PubMed: 28002667 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.6b01566
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.21810 0.5% 6.6%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