6NZT

Crystal structure of HCV NS3/4A protease in complex with voxilaprevir

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	HCV NS3/4A protease	polymer	203	21516.4	1	UniProt (S4UY05)	Hepatitis C virus
2	B (A)	Voxilaprevir	non-polymer		868.9	1	Chemie (L9P)
3	C (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
4	D (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5	E (A)	water	water		18.0	191	Chemie (HOH)

Sequence modifications

A: 1004 - 1182 (UniProt: S4UY05)

PDB	External Database	Details
Gly 980	-	expression tag
Ser 981	-	expression tag
His 982	-	expression tag
Met 983	-	expression tag
Ala 984	-	expression tag
Ser 985	-	expression tag
Met 986	-	expression tag
Lys 987	-	expression tag
Lys 988	-	expression tag
Lys 989	-	expression tag
Gly 990	-	expression tag
Ser 991	-	expression tag
Val 992	-	expression tag
Val 993	-	expression tag
Ile 994	-	expression tag
Val 995	-	expression tag
Gly 996	-	expression tag
Arg 997	-	expression tag
Ile 998	-	expression tag
Asn 999	-	expression tag
Leu 1000	-	expression tag
Ser 1001	-	expression tag
Gly 1002	-	expression tag
Asp 1003	-	expression tag
Glu 1013	Leu 1039	variant
Glu 1014	Leu 1040	variant
Gln 1017	Ile 1043	variant
Glu 1018	Val 1044	variant
Gln 1021	Leu 1047	variant
Ser 1047	Cys 1073	variant
Leu 1052	Cys 1078	variant
Thr 1072	Val 1098	variant
Gln 1086	Pro 1112	variant
Ser 1159	Cys 1185	variant
Gln 1168	Asp 1194	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	21516.4
Non-Polymers*	Number of molecules	3
	Total formula weight	1030.4
All*	Total formula weight	22546.8

*Water molecules are not included.