3U1I

Dengue virus protease covalently bound to a peptide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Serine protease subunit NS2B	polymer	51	5594.0	2	UniProt (Q5UB51) Pfam (PF01002) In PDB	Dengue virus 3 (DENV-3)	Flavivirin protease NS2B regulatory subunit, Non-structural protein 2B
2	B, D	Serine protease NS3	polymer	191	20150.4	2	UniProt (Q5UB51) Pfam (PF00949) In PDB	Dengue virus 3 (DENV-3)	Flavivirin protease NS3 catalytic subunit, Non-structural protein 3
3	E, F	peptide of (BEZ)(NLE)KR(OAR)	polymer	5	663.9	2	BIRD (PRD_000988)
4	A, D, E, F	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
5		water	water		18.0	112	Chemie (HOH)

Sequence modifications

A, C: 50 - 95 (UniProt: Q5UB51)

PDB	External Database	Details
Gly 45	-	expression tag
Pro 46	-	expression tag
Leu 47	-	expression tag
Gly 48	-	expression tag
Ser 49	-	expression tag

B, D: 1 - 182 (UniProt: Q5UB51)

PDB	External Database	Details
Gly -8	-	expression tag
Gly -7	-	expression tag
Gly -6	-	expression tag
Gly -5	-	expression tag
Ser -4	-	expression tag
Gly -3	-	expression tag
Gly -2	-	expression tag
Gly -1	-	expression tag
Gly 0	-	expression tag
Thr 115	Ile 1588	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	52816.6
Non-Polymers*	Number of molecules	4
	Total formula weight	384.3
All*	Total formula weight	53200.9

*Water molecules are not included.