3RC4

Molecular mechanisms of viral and host-cell substrate recognition by HCV NS3/4A protease

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	NS3/4A Protease	polymer	203	21487.3	1	UniProt (D6MZ98) Pfam (PF02907) UniProt (by SIFTS) (P27958)	Hepatitis C virus subtype 1a
2	B (B)	Product TRIF	polymer	13	1270.5	1	UniProt (by SIFTS) (Q8IUC6)	Homo sapiens
3	C (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4	D (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
5	E, F (A, B)	water	water		18.0	154	Chemie (HOH)

Sequence modifications

A: 1000 - 1182 (UniProt: D6MZ98)

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
Ser 1001	Ala 37	engineered mutation
Gly 1002	Pro 38	engineered mutation
Asp 1003	Ile 39	engineered mutation
Glu 1013	Leu 49	engineered mutation
Glu 1014	Leu 50	engineered mutation
Gln 1017	Ile 53	engineered mutation
Glu 1018	Val 54	engineered mutation
Gln 1021	Leu 57	engineered mutation
Ser 1047	Cys 83	engineered mutation
Leu 1052	Cys 88	engineered mutation
Thr 1072	Ile 108	engineered mutation
Lys 1080	Gln 116	engineered mutation
Gln 1086	Pro 122	engineered mutation
Ser 1091	Ala 127	engineered mutation
Ala 1139	Ser 175	engineered mutation
Ser 1159	Cys 195	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	22757.8
Non-Polymers*	Number of molecules	2
	Total formula weight	161.5
All*	Total formula weight	22919.3

*Water molecules are not included.