7KID

PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 72

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, D, E, F (A)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
4	G (A)	(1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol	non-polymer		484.5	1	Chemie (WFV)
5	H, I (A, B)	water	water		18.0	260	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	5
	Total formula weight	732.7
All*	Total formula weight	112358.8

*Water molecules are not included.