2024-02-03_00000041|medium|8FJM

Crystal Structure of the Trypanosoma brucei DOT1A histone H3K76 methyltransferase in complex with AdoHcy - P212121 space group; X-ray diffraction 1.90Å
Protein #1 257 residues (98% resolved)

GPHMPKGELGAGTPHEPYNLPLRGNPNKSGCHHCLADQCHCVFFERLLDATFRRLDIKRITEVSGSRHLCAKSLLPTFVSRMVRLMEITSEDTFYDLGCGNGSILFQVAFLTGARCVGIEISEHNAKVAKKAWEVIRPELEGSSGRSMSEVNIITSDMTKILADERLFESERGKTVILLSNLLFPKSLTHYLSERFRRVPSGTRILCFDDLYPHSRSVAAIRDPEAFRLFAMTDYRWQECSVEWCTRDGPFFIHRRR

GPHMPKGELGAGTPHEPYNLPLRGNPNKSGCHHCLADQCHCVFFERLLDATFRRLDIKRITEVSGSRHLCAKSLLPTFVSRMVRLMEITSEDTFYDLGCGNGSILFQVAFLTGARCVGIEISEHNAKVAKKAWEVIRPELEGSSGRSMSEVNIITSDMTKILADERLFESERGKTVILLSNLLFPKSLTHYLSERFRRVPSGTRILCFDDLYPHSRSVAAIRDPEAFRLFAMTDYRWQECSVEWCTRDGPFFIHRRR
Non polymer #2 ACT

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

CC(=O)[O-]
Non polymer #3 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #4 SAH

InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
Non polymer #5 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference