6MO1

Structure of dengue virus protease with an allosteric Inhibitor that blocks replication

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	FLAVIVIRUS_NS2B/Peptidase S7	polymer	247	26330.5	2	UniProt (B3RFT3) UniProt (Q91H74) Pfam (PF01002) Pfam (PF00949) In PDB	Dengue virus 2
2	A, B	5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-[(piperidin-4-yl)methyl]pyrazin-2-amine	non-polymer		439.6	2	Chemie (I16)

Sequence modifications

A, B: 49 - 991 (UniProt: B3RFT3)

PDB	External Database	Details
Gly 43	-	expression tag
Ser 44	-	expression tag
His 45	-	expression tag
Met 46	-	expression tag
Leu 47	-	expression tag
Met 48	-	expression tag
Gly 992	-	linker
Gly 993	-	linker
Gly 994	-	linker
Gly 995	-	linker
Ser 996	-	linker
Gly 997	-	linker
Gly 998	-	linker
Gly 999	-	linker
Gly 1000	-	linker

A, B: 1001 - 1185 (UniProt: Q91H74)

PDB	External Database	Details
Asn 1167	Gln 1642	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	52661.0
Non-Polymers*	Number of molecules	2
	Total formula weight	879.1
All*	Total formula weight	53540.1

*Water molecules are not included.