6OIP

Crystal structure of MYST acetyltransferase domain in complex with inhibitor 34

Summary for 6OIP

DescriptorHistone acetyltransferase KAT8, ZINC ION, GLYCEROL, ... (5 entities in total)
Functional Keywordsinhibitor, complex, myst, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight32748.04
Authors
Hermans, S.J.,Chung, M.C.,Parker, M.W.,Thomas, T.,Baell, J.B. (deposition date: 2019-04-09, release date: 2019-07-03, Last modification date: 2019-08-21)
Primary citation
Leaver, D.J.,Cleary, B.,Nguyen, N.,Priebbenow, D.L.,Lagiakos, H.R.,Sanchez, J.,Xue, L.,Huang, F.,Sun, Y.,Mujumdar, P.,Mudududdla, R.,Varghese, S.,Teguh, S.,Charman, S.A.,White, K.L.,Katneni, K.,Cuellar, M.,Strasser, J.M.,Dahlin, J.L.,Walters, M.A.,Street, I.P.,Monahan, B.J.,Jarman, K.E.,Sabroux, H.J.,Falk, H.,Chung, M.C.,Hermans, S.J.,Parker, M.W.,Thomas, T.,Baell, J.B.
Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62:7146-7159, 2019
PubMed: 31256587 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.9b00665
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.8 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.22211 0.4% 2.0% 8.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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