6BHH

Crystal structure of SETDB1 with a modified H3 peptide

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 SETDB1	polymer	239	27555.6	1	UniProt (Q15047) Pfam (PF18300) Pfam (PF18359) Pfam (PF18358)	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
2	B (B)	Histone H3.1	polymer	18	1840.2	1	UniProt (P68431)	Homo sapiens	Histone H3/a, Histone H3/b, Histone H3/c, Histone H3/d, Histone H3/f, Histone H3/h, Histone H3/i, Histone H3/j, Histone H3/k, Histone H3/l
3	C, D (A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	AA, BA, CA, DA, E... (A, B)	UNKNOWN ATOM OR ION	non-polymer			26	Chemie (UNX)
5	EA, FA (A, B)	water	water		18.0	221	Chemie (HOH)

Sequence modifications

A: 190 - 410 (UniProt: Q15047)

PDB	External Database	Details
Met 172	-	expression tag
His 173	-	expression tag
His 174	-	expression tag
His 175	-	expression tag
His 176	-	expression tag
His 177	-	expression tag
His 178	-	expression tag
Ser 179	-	expression tag
Ser 180	-	expression tag
Gly 181	-	expression tag
Arg 182	-	expression tag
Glu 183	-	expression tag
Asn 184	-	expression tag
Leu 185	-	expression tag
Tyr 186	-	expression tag
Phe 187	-	expression tag
Gln 188	-	expression tag
Gly 189	-	expression tag
Ala 358	Trp 358	engineered mutation

B: 4 - 19 (UniProt: P68431)

PDB	External Database	Details
Ace 3	-	acetylation
Nh2 20	-	amidation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	29395.8
Non-Polymers*	Number of molecules	28
	Total formula weight	192.1
All*	Total formula weight	29587.9

*Water molecules are not included.