5V21

Crystal structure of human SETD2 SET-domain in complex with H3K36M peptide and SAM

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	297	34368.2	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 H3K36M peptide	polymer	15	1641.9	1	UniProt (by SIFTS) (P68431)	Homo sapiens
3	C, D, E (A)	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
4	F (A)	S-ADENOSYLMETHIONINE	non-polymer		398.4	1	Chemie (SAM) PubChem (5136) PubChem (34755) PubChem (58633578) PubChem (60038769) PubChem (58766358) PubChem (73897310) PubChem (9865603) PubChem (87224684) PubChem (12312798) PubChem (131697735) PubChem (145712080) PubChem (132988922) PubChem (134692588) PubChem (135030730) PubChem (140459785) PubChem (163046094)
5	G, H (A, B)	water	water		18.0	36	Chemie (HOH)

Sequence modifications

A: 1435 - 1711 (UniProt: Q9BYW2)

PDB	External Database	Details
Met 1415	-	initiating methionine
His 1416	-	expression tag
His 1417	-	expression tag
His 1418	-	expression tag
His 1419	-	expression tag
His 1420	-	expression tag
His 1421	-	expression tag
Ser 1422	-	expression tag
Ser 1423	-	expression tag
Gly 1424	-	expression tag
Arg 1425	-	expression tag
Glu 1426	-	expression tag
Asn 1427	-	expression tag
Leu 1428	-	expression tag
Tyr 1429	-	expression tag
Phe 1430	-	expression tag
Gln 1431	-	expression tag
Gly 1432	-	expression tag
His 1433	-	expression tag
Met 1434	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	36010.1
Non-Polymers*	Number of molecules	4
	Total formula weight	594.7
All*	Total formula weight	36604.8

*Water molecules are not included.