6P6T

HCV NS3/4A protease domain of genotype 4a in complex with glecaprevir

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Non-structural protein 4A,Serine protease NS3	polymer	203	21226.1	1	UniProt (O39929) Pfam (PF02907)	Hepatitis C virus genotype 4a (isolate ED43) (HCV)
2	B (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	C (A)	Glecaprevir	non-polymer		838.9	1	Chemie (O31)
4	D (A)	water	water		18.0	140	Chemie (HOH)

Sequence modifications

A: 990 - 1000 (UniProt: O39929)

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

A: 1004 - 1182 (UniProt: O39929)

PDB	External Database	Details
Ser 1001	-	linker
Gly 1002	-	linker
Asp 1003	-	linker
Glu 1013	Leu 1039	engineered mutation
Glu 1014	Phe 1040	engineered mutation
Gln 1017	Ile 1043	engineered mutation
Glu 1018	Val 1044	engineered mutation
Gln 1021	Leu 1047	engineered mutation
Ser 1054	Thr 1080	engineered mutation
Gly 1061	Ala 1087	engineered mutation
Lys 1092	Arg 1118	engineered mutation
Thr 1095	Ala 1121	engineered mutation
Ala 1101	Ser 1127	engineered mutation
Ser 1102	Ala 1128	engineered mutation
Val 1114	Ile 1140	engineered mutation
Thr 1134	Ile 1160	engineered mutation
Val 1150	Arg 1176	engineered mutation
Leu 1153	Ile 1179	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	21226.1
Non-Polymers*	Number of molecules	2
	Total formula weight	904.3
All*	Total formula weight	22130.4

*Water molecules are not included.