4WTK

CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-AGCC, RNA PRIMER 5'-PGG, MN2+, AND CDP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (T)	RNA TEMPLATE AGCC	polymer	4	1239.8	1		synthetic construct
2	B (P)	RNA PRIMER GG	polymer	2	645.5	1		synthetic construct
3	C (A)	RNA-directed RNA polymerase	polymer	580	64819.4	1	UniProt (Q99IB8) Pfam (PF00998)	Hepatitis C virus JFH-1
4	D, E, F (A)	MANGANESE (II) ION	non-polymer		54.9	3	Chemie (MN)
5	G (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	H (A)	CYTIDINE-5'-DIPHOSPHATE	non-polymer		403.2	1	Chemie (CDP)
7	I (A)	1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE	non-polymer		266.3	1	Chemie (PG6)
8	J (A)	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		282.3	1	Chemie (B3P)
9	K (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
10	L, M, N (T, P, A)	water	water		18.0	121	Chemie (HOH)

Sequence modifications

A: 1 - 570 (UniProt: Q99IB8)

PDB	External Database	Details
Met -1	-	expression tag
Ser 0	-	expression tag
Gly 15	Ser 2457	engineered mutation
Gln 86	Glu 2528	engineered mutation
Gln 87	Glu 2529	engineered mutation
His 223	Cys 2665	engineered mutation
Ile 321	Val 2763	engineered mutation
Leu 571	-	expression tag
Glu 572	-	expression tag
His 573	-	expression tag
His 574	-	expression tag
His 575	-	expression tag
His 576	-	expression tag
His 577	-	expression tag
His 578	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	66704.7
Non-Polymers*	Number of molecules	8
	Total formula weight	1214.2
All*	Total formula weight	67918.8

*Water molecules are not included.