5W2E

HCV NS5B RNA-dependent RNA polymerase in complex with non-nucleoside inhibitor MK-8876

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Genome polyprotein	polymer	576	64069.4	2	UniProt (P26663) Pfam (PF00998) In PDB	Hepatitis C virus genotype 1b (isolate BK) (HCV)
2	A, B	2-(4-fluorophenyl)-5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide	non-polymer		614.6	2	Chemie (9VY)
3		water	water		18.0	259	Chemie (HOH)

Sequence modifications

A, B: 3 - 570 (UniProt: P26663)

PDB	External Database	Details
Ala -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
His 2	-	expression tag
Pro 25	Ala 2444	conflict
Ser 46	Gly 2465	conflict
Val 329	Thr 2748	engineered mutation
Ala 338	Val 2757	engineered mutation
Gln 544	Arg 2963	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	128138.8
Non-Polymers*	Number of molecules	2
	Total formula weight	1229.2
All*	Total formula weight	129368.0

*Water molecules are not included.