8Q5P

Structure of the lysine methyltransferase SETD2 in complex with a peptide derived from human tyrosine kinase ACK1

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	295	34098.8	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)	Activated CDC42 kinase 1	polymer	12	1347.5	1	UniProt (Q07912)	Homo sapiens	ACK-1,Tyrosine kinase non-receptor protein 2
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 (9865603) PubChem (12312798) PubChem (58766358) PubChem (87224684) PubChem (131697735) PubChem (145712080) PubChem (58633578) PubChem (60038769) PubChem (73897310) PubChem (132988922) PubChem (134692588) PubChem (135030730) PubChem (140459785) PubChem (163046094)
5	G, H (A, B)	water	water		18.0	174	Chemie (HOH)

Sequence modifications

A: 1433 - 1711 (UniProt: Q9BYW2)

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

B: 30 - 41 (UniProt: Q07912)

PDB	External Database	Details
Met 36	Lys 514	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	35446.4
Non-Polymers*	Number of molecules	4
	Total formula weight	594.7
All*	Total formula weight	36041.0

*Water molecules are not included.