4B6F

Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function

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	683	72466.3	2	UniProt (P26663) Pfam (PF02907) Pfam (PF07652) Pfam (PF22027)	HEPATITIS C VIRUS (ISOLATE BK)	NS4A, P8, HEPACIVIRIN, NS3P, P70
2	C, E (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
3	D, F (A, B)	(4-phenoxyphenyl)methylazanium	non-polymer		200.3	2	Chemie (20L)
4	G, H (A, B)	water	water		18.0	158	Chemie (HOH)

Sequence modifications

A, B: -13 - -2 (UniProt: P26663)

PDB	External Database	Details
Met -34	-	expression tag
Gly -33	-	expression tag
Ser -32	-	expression tag
Ser -31	-	expression tag
His -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
His -25	-	expression tag
Ser -24	-	expression tag
Ser -23	-	expression tag
Gly -22	-	expression tag
Leu -21	-	expression tag
Val -20	-	expression tag
Pro -19	-	expression tag
Arg -18	-	expression tag
Gly -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
Met -14	-	expression tag

A, B: 3 - 631 (UniProt: P26663)

PDB	External Database	Details
Gly -1	-	linker
Ser 0	-	linker
Gly 1	-	linker
Ser 2	-	linker
Gly 66	Ala 1092	conflict
Gln 86	Pro 1112	conflict
Ala 87	Lys 1113	conflict
Ser 147	Phe 1173	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	144932.6
Non-Polymers*	Number of molecules	4
	Total formula weight	592.6
All*	Total formula weight	145525.2

*Water molecules are not included.