4A1X

Co-Complex structure of NS3-4A protease with the inhibitory peptide CP5-46-A (Synchrotron data)

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)	NONSTRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3	polymer	203	21385.4	2	UniProt (P26662) Pfam (PF02907)	HEPATITIS C VIRUS SUBTYPE 1B	NS3-4A PROTEASE, NS4A, HEPACIVIRIN, NS3P, P70
2	C, D (C, D)	CP5-46-A PEPTIDE	polymer	21	2304.6	2		SYNTHETIC CONSTRUCT
3	E, M (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	F, G, H, I, J... (A, B)	CHLORIDE ION	non-polymer		35.5	13	Chemie (CL)
5	T, U, V, W (A, B, C, D)	water	water		18.0	193	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	47380.0
Non-Polymers*	Number of molecules	15
	Total formula weight	591.7
All*	Total formula weight	47971.7

*Water molecules are not included.