4B6E

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	NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3	polymer	683	72466.3	2	UniProt (P26663) Pfam (PF02907) Pfam (PF07652) Pfam (PF22027) In PDB	HEPATITIS C VIRUS (ISOLATE BK)	NS4A, P8, HEPACIVIRIN, NS3P, P70
2	A, B	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
3	B	1H-indazol-7-amine	non-polymer		133.2	1	Chemie (10L)
4		water	water		18.0	346	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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	144932.6
Non-Polymers*	Number of molecules	3
	Total formula weight	325.3
All*	Total formula weight	145257.9

*Water molecules are not included.