4X61

Crystal structure of PRMT5:MEP50 with EPZ015666 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	Protein arginine N-methyltransferase 5	polymer	645	73763.6	1	UniProt (O14744) Pfam (PF17285) Pfam (PF05185) Pfam (PF17286) In PDB	Homo sapiens (Human)	72 kDa ICln-binding protein,Histone-arginine N-methyltransferase PRMT5,Jak-binding protein 1,Shk1 kinase-binding protein 1 homolog,SKB1Hs
2	B	Methylosome protein 50	polymer	350	37862.4	1	UniProt (Q9BQA1) Pfam (PF00400) In PDB	Homo sapiens (Human)	MEP-50,Androgen receptor cofactor p44,WD repeat-containing protein 77,p44/Mep50
3	A	S-ADENOSYLMETHIONINE	non-polymer		398.4	1	Chemie (SAM)
4	A	N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide	non-polymer		383.4	1	Chemie (3XV)
5	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6		water	water		18.0	58	Chemie (HOH)

Sequence modifications

A: 2 - 637 (UniProt: O14744)

PDB	External Database	Details
Met -7	-	expression tag
Asp -6	-	expression tag
Tyr -5	-	expression tag
Lys -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Asp -1	-	expression tag
Asp 0	-	expression tag
Lys 1	-	expression tag

B: 2 - 342 (UniProt: Q9BQA1)

PDB	External Database	Details
Met -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	111626.0
Non-Polymers*	Number of molecules	3
	Total formula weight	874.0
All*	Total formula weight	112500.0

*Water molecules are not included.