4HRA

Crystal Structure of DOT1L in Complex with EPZ-5676

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Histone-lysine N-methyltransferase, H3 lysine-79 specific	polymer	425	48566.2	1	UniProt (Q8TEK3) Pfam (PF08123) In PDB	Homo sapiens (human)	DOT1-like protein, Histone H3-K79 methyltransferase, H3-K79-HMTase, Lysine N-methyltransferase 4
2	A	5'-[{cis-3-[2-(5-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl}(propan-2-yl)amino]-5'-deoxyadenosine	non-polymer		562.7	1	Chemie (EP6)
3	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)

Sequence modifications

A: 1 - 416 (UniProt: Q8TEK3)

PDB	External Database	Details
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Ser -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	48566.2
Non-Polymers*	Number of molecules	3
	Total formula weight	754.8
All*	Total formula weight	49321.1

*Water molecules are not included.