7S1R

PRMT5/MEP50 crystal structure with MTA and a phthalazinone inhibitor bound (compound (M)-31)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Protein arginine N-methyltransferase 5	polymer	645	73763.6	1	UniProt (O14744) Pfam (PF17285) Pfam (PF05185) Pfam (PF17286)	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 (B)	Methylosome protein 50	polymer	350	37862.4	1	UniProt (Q9BQA1) Pfam (PF00400)	Homo sapiens (Human)	MEP-50,Androgen receptor cofactor p44,WD repeat-containing protein 77,p44/Mep50
3	C (A)	5'-DEOXY-5'-METHYLTHIOADENOSINE	non-polymer		297.3	1	Chemie (MTA)
4	D (A)	{7-[(5M)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1H-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium	non-polymer		425.4	1	Chemie (85E)
5	E, F (A, B)	water	water		18.0	380	Chemie (HOH)

Sequence modifications

A: 2 - 637 (UniProt: O14744)

PDB	External Database	Details
Met -7	-	initiating methionine
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	-	initiating methionine
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	2
	Total formula weight	722.8
All*	Total formula weight	112348.8

*Water molecules are not included.