8IYA

Complex of SETDB1-derived peptide bound to UBE2E1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C (B, A, C)	Ubiquitin-conjugating enzyme E2 E1	polymer	170	19203.8	3	UniProt (P51965) Pfam (PF00179)	Homo sapiens (human)	(E3-independent) E2 ubiquitin-conjugating enzyme E1,E2 ubiquitin-conjugating enzyme E1,UbcH6,Ubiquitin carrier protein E1,Ubiquitin-protein ligase E1
2	D, E, F (D, E, F)	Histone-lysine N-methyltransferase SETDB1	polymer	6	686.7	3	UniProt (Q15047)	Homo sapiens (human)	ERG-associated protein with SET domain,ESET,Histone H3-K9 methyltransferase 4,H3-K9-HMTase 4,Lysine N-methyltransferase 1E,SET domain bifurcated 1
3	G, H, I (B, A, C)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
4	J, K, L, M (B, A, C, E)	water	water		18.0	36	Chemie (HOH)

Sequence modifications

B, A, C: 41 - 193 (UniProt: P51965)

PDB	External Database	Details
Met 24	-	initiating methionine
His 25	-	expression tag
His 26	-	expression tag
His 27	-	expression tag
His 28	-	expression tag
His 29	-	expression tag
His 30	-	expression tag
His 31	-	expression tag
His 32	-	expression tag
Leu 33	-	expression tag
Glu 34	-	expression tag
Val 35	-	expression tag
Leu 36	-	expression tag
Phe 37	-	expression tag
Gln 38	-	expression tag
Gly 39	-	expression tag
Pro 40	-	expression tag
Ser 67	Cys 67	engineered mutation
Pro 122	Cys 122	engineered mutation
Ser 153	Cys 153	engineered mutation
Pro 159	Cys 159	engineered mutation

D, E, F: 1 - 6 (UniProt: Q15047)

PDB	External Database	Details
Cys 1	Lys 867	conflict

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	59671.6
Non-Polymers*	Number of molecules	3
	Total formula weight	288.2
All*	Total formula weight	59959.8

*Water molecules are not included.