3SX0

Crystal structure of Dot1l in complex with a brominated SAH analog

Summary for 3SX0

Entry DOI	10.2210/pdb3sx0/pdb
Descriptor	Histone-lysine N-methyltransferase, H3 lysine-79 specific, (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), SULFATE ION, ... (5 entities in total)
Functional Keywords	histone, methyltransferase, epigenetics, structural genomics, structural genomics consortium, sgc, transferase
Biological source	Homo sapiens (human)
Cellular location	Nucleus : Q8TEK3
Total number of polymer chains	1
Total formula weight	48539.07
Authors	Yu, W.,Tempel, W.,Smil, D.,Schapira, M.,Li, Y.,Vedadi, M.,Nguyen, K.T.,Wernimont, A.K.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Weigelt, J.,Brown, P.J.,Structural Genomics Consortium (SGC) (deposition date: 2011-07-14, release date: 2011-07-27, Last modification date: 2023-09-13)
Primary citation	Yu, W.,Smil, D.,Li, F.,Tempel, W.,Fedorov, O.,Nguyen, K.T.,Bolshan, Y.,Al-Awar, R.,Knapp, S.,Arrowsmith, C.H.,Vedadi, M.,Brown, P.J.,Schapira, M. Bromo-deaza-SAH: a potent and selective DOT1L inhibitor. Bioorg. Med. Chem., 21:1787-1794, 2013 Cited by PubMed: 23433670 DOI: 10.1016/j.bmc.2013.01.049 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.28 Å)

Structure validation