6AU2

Crystal structure of SETDB1 Tudor domain with aryl triazole fragments

Summary for 6AU2

Entry DOI	10.2210/pdb6au2/pdb
Descriptor	Histone-lysine N-methyltransferase SETDB1, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ... (7 entities in total)
Functional Keywords	setdb1 tudor, fragment hits, epigenetics, methyllysine reader, structural genomics, structural genomics consortium, sgc, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	26097.97
Authors	MADER, P.,Mendoza-Sanchez, R.,IQBAL, A.,DONG, A.,DOBROVETSKY, E.,CORLESS, V.B.,LIEW, S.K.,TEMPEL, W.,SMIL, D.,DELA SENA, C.C.,KENNEDY, S.,DIAZ, D.,HOLOWNIA, A.,VEDADI, M.,BROWN, P.J.,SANTHAKUMAR, V.,Bountra, C.,Edwards, A.M.,YUDIN, A.K.,Arrowsmith, C.H.,Structural Genomics Consortium (SGC) (deposition date: 2017-08-30, release date: 2017-10-11, Last modification date: 2019-10-16)
Primary citation	Mader, P.,Mendoza-Sanchez, R.,Iqbal, A.,Dong, A.,Dobrovetsky, E.,Corless, V.B.,Liew, S.K.,Houliston, S.R.,De Freitas, R.F.,Smil, D.,Sena, C.C.D.,Kennedy, S.,Diaz, D.B.,Wu, H.,Dombrovski, L.,Allali-Hassani, A.,Min, J.,Schapira, M.,Vedadi, M.,Brown, P.J.,Santhakumar, V.,Yudin, A.K.,Arrowsmith, C.H. Identification and characterization of the first fragment hits for SETDB1 Tudor domain. Bioorg.Med.Chem., 27:3866-3878, 2019 Cited by PubMed: 31327677 DOI: 10.1016/j.bmc.2019.07.020 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.63 Å)

Structure validation