7NXU

Crystal structure of the tick-borne encephalitis virus NS3 helicase in complex with ADP-Pi

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	NS3 helicase domain	polymer	473	53489.0	1	UniProt (A0A2S1PWV0) Pfam (PF07652) Pfam (PF20907) UniProt (by SIFTS) (P14336) In PDB	Tick-borne encephalitis virus	Serine protease NS3
2	A	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
3	A	MANGANESE (II) ION	non-polymer		54.9	1	Chemie (MN)
4	A	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
5	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
6		water	water		18.0	200	Chemie (HOH)

Sequence modifications

A: 173 - 621 (UniProt: A0A2S1PWV0)

PDB	External Database	Details
Met 149	-	initiating methionine
Gly 150	-	expression tag
His 151	-	expression tag
His 152	-	expression tag
His 153	-	expression tag
His 154	-	expression tag
His 155	-	expression tag
His 156	-	expression tag
His 157	-	expression tag
His 158	-	expression tag
His 159	-	expression tag
His 160	-	expression tag
Ser 161	-	expression tag
Ser 162	-	expression tag
Gly 163	-	expression tag
His 164	-	expression tag
Ile 165	-	expression tag
Asp 166	-	expression tag
Asp 167	-	expression tag
Asp 168	-	expression tag
Asp 169	-	expression tag
Lys 170	-	expression tag
His 171	-	expression tag
Met 172	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	53489.0
Non-Polymers*	Number of molecules	4
	Total formula weight	600.1
All*	Total formula weight	54089.1

*Water molecules are not included.