5JLB

Crystal structure of SETD2 bound to histone H3.3 K36I 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 SETD2	polymer	279	32042.6	1	UniProt (Q9BYW2) Pfam (PF17907) Pfam (PF00856)	Homo sapiens (Human)	HIF-1,Huntingtin yeast partner B,Huntingtin-interacting protein 1,HIP-1,Huntingtin-interacting protein B,Lysine N-methyltransferase 3A,SET domain-containing protein 2,hSET2,p231HBP
2	B (B)	Histone H3.3	polymer	14	1542.8	1	UniProt (P84243)	Homo sapiens
3	C (A)	S-ADENOSYL-L-HOMOCYSTEINE	non-polymer		384.4	1	Chemie (SAH) PubChem (16760024) PubChem (25210495) PubChem (177678424) PubChem (21125603) PubChem (25203782) PubChem (52224400) PubChem (44361184) PubChem (46936206) PubChem (50989525) PubChem (51380914) PubChem (6419189) PubChem (52224398) PubChem (57544532) PubChem (164157219) PubChem (59046843) PubChem (59170628) PubChem (59576228) PubChem (66805708) PubChem (70689219) PubChem (70702054) PubChem (70832431) PubChem (118374891) PubChem (118560068) PubChem (193) PubChem (13792) PubChem (189149) PubChem (439155) PubChem (5284331) PubChem (126969526) PubChem (71170554) PubChem (129105892) PubChem (13231890) PubChem (143518505) PubChem (154578335) PubChem (163054214) PubChem (163335525)
4	D, E, F (A)	THIOCYANATE ION	non-polymer		58.1	3	Chemie (SCN) PubChem (9322)
5	G, H (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL) PubChem (753)
6	I, J, K (A)	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
7	L, M (A, B)	water	water		18.0	330	Chemie (HOH)

Sequence modifications

A: 1434 - 1711 (UniProt: Q9BYW2)

PDB	External Database	Details
Ser 1433	-	expression tag

B: 29 - 42 (UniProt: P84243)

PDB	External Database	Details
Ile 36	Lys 37	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	33585.4
Non-Polymers*	Number of molecules	9
	Total formula weight	939.1
All*	Total formula weight	34524.4

*Water molecules are not included.