4JU2

Crystal structure of hcv ns5b polymerase in complex with compound 12

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)	Genome polyprotein	polymer	576	64285.6	2	UniProt (O92972) Pfam (PF00998)	Hepatitis C virus (HCV)	Core protein p21, Capsid protein C, p21, Core protein p19, Envelope glycoprotein E1, gp32, gp35, Envelope glycoprotein E2, NS1, gp68, gp70, p7, Protease NS2-3, p23, Serine protease NS3, Hepacivirin, NS3P, p70, Non-structural protein 4A, NS4A, p8, Non-structural protein 4B, NS4B, p27, Non-structural protein 5A, NS5A, p56, RNA-directed RNA polymerase, NS5B, p68
2	C, G (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
3	D, H (A, B)	6-[3-(pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one	non-polymer		527.4	2	Chemie (1O0)
4	E, F, I, J (A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	K, L (A, B)	water	water		18.0	275	Chemie (HOH)

Sequence modifications

A, B: 1 - 570 (UniProt: O92972)

PDB	External Database	Details
His 571	-	expression tag
His 572	-	expression tag
His 573	-	expression tag
His 574	-	expression tag
His 575	-	expression tag
His 576	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	128571.3
Non-Polymers*	Number of molecules	8
	Total formula weight	1336.2
All*	Total formula weight	129907.5

*Water molecules are not included.