7KIB

PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4

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	(2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol	non-polymer		513.3	1	Chemie (WFM)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	10	Chemie (EDO)
5	A	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
6	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
7		water	water		18.0	424	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	16
	Total formula weight	1452.6
All*	Total formula weight	113078.7

*Water molecules are not included.