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)
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.