Literature summary for 3.4.21.91 extracted from

Li, J.; Lim, S.P.; Beer, D.; Patel, V.; Wen, D.; Tumanut, C.; Tully, D.C.; Williams, J.A.; Jiricek, J.; Priestle, J.P.; Harris, J.L.; Vasudevan, S.G.
Functional profiling of recombinant NS3 proteases from all four serotypes of dengue virus using tetrapeptide and octapeptide substrate libraries (2005), J. Biol. Chem., 280, 28766-28774.

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Inhibitors

Inhibitors	Comment	Organism	Structure
Aprotinin	-	Dengue virus

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism
0.0062	-	benzoyl-Nle-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 1	Dengue virus
0.0066	-	benzoyl-Thr-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 1	Dengue virus
0.011	-	benzoyl-Thr-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 2	Dengue virus
0.012	-	benzoyl-Nle-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 2	Dengue virus
0.012	-	benzoyl-Nle-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 3	Dengue virus
0.013	-	benzoyl-Thr-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 3	Dengue virus
0.034	-	benzoyl-Nle-Lys-Thr-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 2	Dengue virus
0.046	-	benzoyl-Nle-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 2	Dengue virus
0.053	-	benzoyl-Nle-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 3	Dengue virus
0.071	-	benzoyl-Nle-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 1	Dengue virus
0.076	-	benzoyl-Thr-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 2	Dengue virus
0.12	-	tert-butoxycarbonyl-Gly-Arg-Arg-4-methylcoumarin 7-amide	pH 8.5, 37°C, enzyme from Dengue virus serotype 1	Dengue virus
0.125	-	tert-butoxycarbonyl-Gly-Arg-Arg-4-methylcoumarin 7-amide	pH 8.5, 37°C, enzyme from Dengue virus serotype 3	Dengue virus
0.15	-	tert-butoxycarbonyl-Gly-Arg-Arg-4-methylcoumarin 7-amide	pH 8.5, 37°C, enzyme from Dengue virus serotype 2	Dengue virus
0.18	-	benzoyl-Nle-Lys-Thr-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 3	Dengue virus
0.202	-	benzoyl-Nle-Lys-Thr-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 1	Dengue virus
0.22	-	benzoyl-Thr-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 3	Dengue virus
0.36	-	benzoyl-Thr-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 1	Dengue virus
6	-	benzoyl-Nle-Lys-Arg-Arg-thiobenzylester	pH 8.5, 37°C, enzyme from Dengue virus serotype 4	Dengue virus
7.3	-	benzoyl-Nle-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 4	Dengue virus
8.6	-	benzoyl-Thr-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 4	Dengue virus
8.6	-	benzoyl-Nle-Lys-Arg-Arg-4-methylcoumarin 7-amide	pH 8.5, 37°C, enzyme from Dengue virus serotype 4	Dengue virus
52	-	benzoyl-Nle-Lys-Thr-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 4	Dengue virus
72	-	benzoyl-Nle-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 4	Dengue virus
180	-	tert-butoxycarbonyl-Gly-Arg-Arg-4-methylcoumarin 7-amide	pH 8.5, 37°C, enzyme from Dengue virus serotype 4	Dengue virus
210	-	benzoyl-Thr-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 4	Dengue virus

Localization

Localization	Comment	Organism	GeneOntology No.	Textmining

Organism

Organism	UniProt	Comment	Textmining
Dengue virus	-	serotype 3	-
Dengue virus	-	serotype 1	-
Dengue virus	-	serotype 2	-
Dengue virus	-	serotype 4	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.
benzoyl-Nle-Lys-Arg-Arg-4-methylcoumarin 7-amide + H2O	-	Dengue virus	benzoyl-Nle-Lys-Arg-Arg + 7-amino-4-methylcoumarin	-	?
benzoyl-Nle-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin + H2O	-	Dengue virus	benzoyl-Nle-Lys-Arg-Arg + 7-amino-3-carbamoylmethyl-4-methylcoumarin	-	?
benzoyl-Nle-Lys-Arg-Arg-thiobenzylester + H2O	-	Dengue virus	benzoyl-Nle-Lys-Arg-Arg + thiobenzoic acid	-	?
benzoyl-Nle-Lys-Thr-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin + H2O	-	Dengue virus	benzoyl-Nle-Lys-Thr-Arg + 7-amino-3-carbamoylmethyl-4-methylcoumarin	-	?
benzoyl-Nle-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin + H2O	-	Dengue virus	benzoyl-Nle-Thr-Arg-Arg + 7-amino-3-carbamoylmethyl-4-methylcoumarin	-	?
benzoyl-Thr-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin + H2O	-	Dengue virus	benzoyl-Thr-Lys-Arg-Arg + 7-amino-3-carbamoylmethyl-4-methylcoumarin	-	?
benzoyl-Thr-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin + H2O	-	Dengue virus	benzoyl-Thr-Thr-Arg-Arg + 7-amino-3-carbamoylmethyl-4-methylcoumarin	-	?
additional information	strong preference for basic amino acid residues (Arg/Lys) at the P1 position, preference for the P2-4 sites are in the order of Arg > Thr > Gln/Asn/Lys for P2, Lys > Arg > Asn for P3, and Nle > Leu > Lys > Xaa for P4. The prime site substrate specificity is for small and polar amino acids in P1' and P3'	Dengue virus	?	-	?
tert-butoxycarbonyl-Gly-Arg-Arg-4-methylcoumarin 7-amide + H2O	-	Dengue virus	tert-butoxycarbonyl-Gly-Arg-Arg + 7-amino-4-methylcoumarin	-	?

Synonyms

Synonyms	Comment	Organism
NS2B/NS3	-	Dengue virus

Turnover Number [1/s]

Turnover Number Minimum [1/s]	Turnover Number Maximum [1/s]	Substrate	Comment	Organism
0.03	-	tert-butoxycarbonyl-Gly-Arg-Arg-4-methylcoumarin 7-amide	pH 8.5, 37°C, enzyme from Dengue virus serotype 1	Dengue virus
0.05	-	benzoyl-Thr-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 1	Dengue virus
0.07	-	tert-butoxycarbonyl-Gly-Arg-Arg-4-methylcoumarin 7-amide	pH 8.5, 37°C, enzyme from Dengue virus serotype 4	Dengue virus
0.09	-	tert-butoxycarbonyl-Gly-Arg-Arg-4-methylcoumarin 7-amide	pH 8.5, 37°C, enzyme from Dengue virus serotype 3	Dengue virus
0.1	-	benzoyl-Thr-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 3	Dengue virus
0.13	-	tert-butoxycarbonyl-Gly-Arg-Arg-4-methylcoumarin 7-amide	pH 8.5, 37°C, enzyme from Dengue virus serotype 2	Dengue virus
0.17	-	benzoyl-Thr-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 2	Dengue virus
0.2	-	benzoyl-Thr-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 2	Dengue virus
0.21	-	benzoyl-Thr-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 1	Dengue virus
0.28	-	benzoyl-Nle-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 1	Dengue virus
0.32	-	benzoyl-Nle-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 1	Dengue virus
0.33	-	benzoyl-Thr-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 3	Dengue virus
0.43	-	benzoyl-Thr-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 4	Dengue virus
0.48	-	benzoyl-Thr-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 4	Dengue virus
0.58	-	benzoyl-Nle-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 3	Dengue virus
0.61	-	benzoyl-Nle-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 3	Dengue virus
0.76	-	benzoyl-Nle-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 2	Dengue virus
0.97	-	benzoyl-Nle-Lys-Thr-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 1	Dengue virus
1.1	-	benzoyl-Nle-Lys-Thr-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 3	Dengue virus
1.1	-	benzoyl-Nle-Thr-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 4	Dengue virus
1.4	-	benzoyl-Nle-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 2	Dengue virus
1.4	-	benzoyl-Nle-Lys-Thr-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 2	Dengue virus
2.8	-	benzoyl-Nle-Lys-Arg-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 4	Dengue virus
2.9	-	benzoyl-Nle-Lys-Arg-Arg-4-methylcoumarin 7-amide	pH 8.5, 37°C, enzyme from Dengue virus serotype 4	Dengue virus
4.9	-	benzoyl-Nle-Lys-Thr-Arg-7-amido-3-carbamoylmethyl-4-methylcoumarin	pH 8.5, 37°C, enzyme from Dengue virus serotype 4	Dengue virus
300	-	benzoyl-Nle-Lys-Arg-Arg-thiobenzylester	pH 8.5, 37°C, enzyme from Dengue virus serotype 4	Dengue virus

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.000000079	-	Aprotinin	enzyme from Dengue virus serotype 1	Dengue virus