2YOL

West Nile Virus NS2B-NS3 protease in complex with 3,4- dichlorophenylacetyl-Lys-Lys-GCMA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	SERINE PROTEASE SUBUNIT NS2B, SERINE PROTEASE NS3	polymer	230	24602.4	1	UniProt (P06935)	WEST NILE VIRUS	FLAVIVIRIN PROTEASE NS2B REGULATORY SUBUNIT, NON-STRUCTURAL PROTEIN 2B, FLAVIVIRIN PROTEASE NS3 CATALYTIC SUBUNIT, NON-STRUCTURAL PROTEIN 3
2	B (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
3	C (A)	(S)-6-amino-N-((S)-6-amino-1-(((1r,4S)-4-guanidinocyclohexyl)methylamino)-1-oxohexan-2-yl)-2-(2-(3,4-dichlorophenyl)acetamido)hexanamide	non-polymer		613.6	1	Chemie (EBN)
4	D (A)	NICKEL (II) ION	non-polymer		58.7	1	Chemie (NI)
5	E (A)	water	water		18.0	7	Chemie (HOH)

Sequence modifications

A: 50 - 96 (UniProt: P06935)

PDB	External Database	Details
Gly 46	-	expression tag
Ser 47	-	expression tag
His 48	-	expression tag
Met 49	-	expression tag

A: 1001 - 1170 (UniProt: P06935)

PDB	External Database	Details
Gly 97	-	linker
Gly 98	-	linker
Gly 99	-	linker
Gly 100	-	linker
Ser 101	-	linker
Gly 102	-	linker
Gly 103	-	linker
Gly 104	-	linker
Gly 105	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	24602.4
Non-Polymers*	Number of molecules	3
	Total formula weight	707.8
All*	Total formula weight	25310.1

*Water molecules are not included.