9WA5

Crystal structure of an inactive form of NS2B-NS3 Protease

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)	Serine protease subunit NS2B,Serine protease NS3	polymer	213	22536.4	2	UniProt (Q32ZE1) Pfam (PF00949)	Zika virus	Flavivirin protease NS2B regulatory subunit,Non-structural protein 2B,Flavivirin protease NS3 catalytic subunit,Non-structural protein 3
2	C, E (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
3	D, F (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	G, H (A, B)	water	water		18.0	75	Chemie (HOH)

Sequence modifications

A, B: -30 - -9 (UniProt: Q32ZE1)

PDB	External Database	Details
Gly -35	-	expression tag
Ser -34	-	expression tag
His -33	-	expression tag
Met -32	-	expression tag
Thr -31	-	expression tag

A, B: 1 - 177 (UniProt: Q32ZE1)

PDB	External Database	Details
Gly -8	-	linker
Gly -7	-	linker
Gly -6	-	linker
Gly -5	-	linker
Ser -4	-	linker
Gly -3	-	linker
Gly -2	-	linker
Gly -1	-	linker
Gly 0	-	linker
Lys 107	Arg 1605	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	45072.8
Non-Polymers*	Number of molecules	4
	Total formula weight	172.7
All*	Total formula weight	45245.5

*Water molecules are not included.