5UJ2

Crystal structure of HCV NS5B genotype 2A JFH-1 isolate with S15G E86Q E87Q C223H V321I mutations and Delta8 neta hairpoin loop deletion in complex with GS-639476 (diphsohate version of GS-9813), Mn2+ and symmetrical primer template 5'-AUAAAUUU

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	T, P	RNA (5'-R(*AP*UP*AP*AP*AP*UP*UP*U)-3')	polymer	8	2496.5	2		Escherichia coli
2	A	Genome polyprotein	polymer	572	63861.3	1	UniProt (R9TEU1) Pfam (PF00998) UniProt (by SIFTS) (Q99IB8) In PDB	Hepatitis C virus
3	P, A	MANGANESE (II) ION	non-polymer		54.9	3	Chemie (MN)
4	P	(1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol	non-polymer		443.2	1	Chemie (8B4)
5	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6		water	water		18.0	25	Chemie (HOH)

Sequence modifications

A: 1 - 570 (UniProt: R9TEU1)

PDB	External Database	Details
Met -1	-	initiating methionine
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
-	Asn 2886	deletion
-	Phe 2887	deletion
-	Glu 2888	deletion
-	Met 2889	deletion
-	Tyr 2890	deletion
-	Gly 2891	deletion
-	Ser 2892	deletion
-	Val 2893	deletion
Gly 445	Ser 2895	conflict
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	68854.4
Non-Polymers*	Number of molecules	5
	Total formula weight	643.5
All*	Total formula weight	69497.9

*Water molecules are not included.