4E47

SET7/9 in complex with inhibitor (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6- sulfonamide and S-adenosylmethionine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Histone-lysine N-methyltransferase SETD7	polymer	264	29684.0	4	UniProt (Q8WTS6) Pfam (PF22648) Pfam (PF00856) In PDB	Homo sapiens (human)	SET7/9, Histone H3-K4 methyltransferase SETD7, H3-K4-HMTase SETD7, Lysine N-methyltransferase 7, SET domain-containing protein 7
2	A, B, C, D	S-ADENOSYLMETHIONINE	non-polymer		398.4	4	Chemie (SAM)
3	A, B, C, D	(R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide	non-polymer		438.5	4	Chemie (0N6)
4	A	BETA-MERCAPTOETHANOL	non-polymer		78.1	1	Chemie (BME)
5	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6		water	water		18.0	857	Chemie (HOH)

Sequence modifications

A, B, C, D: 109 - 366 (UniProt: Q8WTS6)

PDB	External Database	Details
His 367	-	expression tag
His 368	-	expression tag
His 369	-	expression tag
His 370	-	expression tag
His 371	-	expression tag
His 372	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	118735.8
Non-Polymers*	Number of molecules	10
	Total formula weight	3522.1
All*	Total formula weight	122257.9

*Water molecules are not included.