3G86

Hepatitis C virus polymerase NS5B (BK 1-570) with thiazine inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	RNA-directed RNA polymerase	polymer	576	64176.7	2	UniProt (P26663) Pfam (PF00998)	Hepatitis C virus	NS5B, p68
2	C, E (A, B)	N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide	non-polymer		559.6	2	Chemie (T18)
3	D, F (A, B)	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
4	G, H (A, B)	water	water		18.0	514	Chemie (HOH)

Sequence modifications

A, B: 2 - 570 (UniProt: P26663)

PDB	External Database	Details
Met -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	128353.3
Non-Polymers*	Number of molecules	4
	Total formula weight	1236.5
All*	Total formula weight	129589.8

*Water molecules are not included.