3UWP

Crystal structure of Dot1l in complex with 5-iodotubercidin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Histone-lysine N-methyltransferase, H3 lysine-79 specific	polymer	438	50124.0	1	UniProt (Q8TEK3) Pfam (PF08123)	Homo sapiens (human)	DOT1-like protein, Histone H3-K79 methyltransferase, H3-K79-HMTase, Lysine N-methyltransferase 4
2	B (A)	(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL	non-polymer		392.1	1	Chemie (5ID) PubChem (16760523) PubChem (1830) PubChem (23919584) PubChem (25880707) PubChem (26248662) PubChem (35028380) PubChem (97297) PubChem (46875276) PubChem (51386958) PubChem (51537014) PubChem (45039587) PubChem (59583554) PubChem (59583625) PubChem (6419781) PubChem (9886793) PubChem (14221929) PubChem (134695308)
3	C, D (A)	IODIDE ION	non-polymer		126.9	2	Chemie (IOD) PubChem (30165)
4	E (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA) PubChem (923)
5	F, G, H, I, J... (A)	UNKNOWN ATOM OR ION	non-polymer			6	Chemie (UNX)
6	L (A)	water	water		18.0	66	Chemie (HOH)

Sequence modifications

A: 1 - 420 (UniProt: Q8TEK3)

PDB	External Database	Details
Met -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Arg -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	50124.0
Non-Polymers*	Number of molecules	10
	Total formula weight	668.9
All*	Total formula weight	50793.0

*Water molecules are not included.