4A1V

Co-Complex structure of NS3-4A protease with the optimized inhibitory peptide CP5-46A-4D5E

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3	polymer	203	21385.4	2	UniProt (P26662) Pfam (PF02907)	HEPATITIS C VIRUS SUBTYPE 1B	NS4A, P8, HEPACIVIRIN, NS3P, P70
2	C, D (C, D)	CP5-46A-4D5E	polymer	20	2203.4	2		SYNTHETIC CONSTRUCT
3	E, G, H (A, B)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
4	F (A)	POTASSIUM ION	non-polymer		39.1	1	Chemie (K)
5	I, J, K, L (A, B, C, D)	water	water		18.0	80	Chemie (HOH)

Sequence modifications

A, B: -14 - -2 (UniProt: P26662)

PDB	External Database	Details
Gly 181	-	expression tag
Ser 182	-	expression tag
His 183	-	expression tag
His 184	-	expression tag
His 185	-	expression tag
His 186	-	expression tag
His 187	-	expression tag
His 188	-	expression tag

A, B: 2 - 180 (UniProt: P26662)

PDB	External Database	Details
Lys -1	-	linker
Gly 0	-	linker
Gly 1	-	linker
Arg 26	Lys 1052	SEE REMARK 999
Glu 30	Asp 1056	SEE REMARK 999
Val 36	Leu 1062	SEE REMARK 999
Gln 86	Pro 1112	SEE REMARK 999
Leu 94	Met 1120	SEE REMARK 999
Ile 114	Val 1140	variant
Val 132	Ile 1158	variant
Ala 150	Val 1176	SEE REMARK 999
Val 170	Ile 1196	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	47177.6
Non-Polymers*	Number of molecules	4
	Total formula weight	145.5
All*	Total formula weight	47323.1

*Water molecules are not included.