Activating Compound | Comment | Organism | Structure |
---|---|---|---|
NS4A peptide | - |
Hepacivirus C |
Cloned (Comment) | Organism |
---|---|
expressed in Escherichia coli BL21(DE3) cells | Hepacivirus C |
Protein Variants | Comment | Organism |
---|---|---|
M485A/V524A/Q526A | mutant with reduced catalytic efficiency compared to the wild type enzyme | Hepacivirus C |
General Stability | Organism |
---|---|
a short His-tag has no effect on protease activity | Hepacivirus C |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(2R,6S,12Z,13aS,14aR,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-([7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine | - |
Hepacivirus C | |
(2S,4S)-1-((S)-2-((R)-2-cyclohexyl-2-(prop-1-en-2-ylamino)acetamido)-3,3-dimethylbutanoyl)-N-((1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropyl)-4-phenylpyrrolidine-2-carboxamide | - |
Hepacivirus C | |
(2S,6S,12Z,13aS,14aR,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-[4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
BILN 2061 | - |
Hepacivirus C | |
N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-([2-[2-(dimethylamino)-1,3-thiazol-4-yl]pyridin-4-yl]oxy)-L-prolinamide | - |
Hepacivirus C | |
N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | - |
Hepacivirus C | |
N-acetyl-L-aspartyl-L-glutamyl-L-isoleucyl-L-valyl-(3R)-3-(benzyloxy)-L-prolyl-N-[(1S)-1-phenylethyl]-L-norleucinamide | - |
Hepacivirus C | |
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(methylideneamino)cyclopropyl]-4-hydroxy-L-prolinamide | - |
Hepacivirus C | |
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4S)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-phenyl-L-prolinamide | - |
Hepacivirus C |
KM Value [mM] | KM Value Maximum [mM] | Substrate | Comment | Organism | Structure |
---|---|---|---|---|---|
0.0029 | - |
anthranilyl-DDIVPAbu[C(O)-O]AMY(3-NO2)TW-OH | single chain NS3 protease domain, at 23°C | Hepacivirus C | |
0.0042 | - |
anthranilyl-DDIVPAbu[C(O)-O]AMY(3-NO2)TW-OH | mutant full-length protease M485A/V524A/Q562A, at 23°C | Hepacivirus C |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Hepacivirus C | - |
- |
- |
Hepacivirus C J | - |
- |
- |
Purification (Comment) | Organism |
---|---|
HiTrap heparin column chromatography, HiTrap SP-HP column chromatography, and Superdex 75 gel filtration | Hepacivirus C |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
anthranilyl-DDIVPAbu[C(O)-O]AMY(3-NO2)TW-OH + H2O | - |
Hepacivirus C | ? | - |
? | |
anthranilyl-DDIVPAbu[C(O)-O]AMY(3-NO2)TW-OH + H2O | - |
Hepacivirus C J | ? | - |
? |
Synonyms | Comment | Organism |
---|---|---|
NS3 protease | - |
Hepacivirus C |
sc-protease | single-chain NS3 protease domain | Hepacivirus C |
Turnover Number Minimum [1/s] | Turnover Number Maximum [1/s] | Substrate | Comment | Organism | Structure |
---|---|---|---|---|---|
0.62 | - |
anthranilyl-DDIVPAbu[C(O)-O]AMY(3-NO2)TW-OH | mutant full-length protease M485A/V524A/Q562A, at 23°C | Hepacivirus C | |
2.5 | - |
anthranilyl-DDIVPAbu[C(O)-O]AMY(3-NO2)TW-OH | single chain NS3 protease domain, at 23°C | Hepacivirus C |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.00000062 | - |
(2R,6S,12Z,13aS,14aR,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-([7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine | wild type enzyme, at 23°C | Hepacivirus C | |
0.0000014 | - |
(2S,4S)-1-((S)-2-((R)-2-cyclohexyl-2-(prop-1-en-2-ylamino)acetamido)-3,3-dimethylbutanoyl)-N-((1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropyl)-4-phenylpyrrolidine-2-carboxamide | wild type enzyme, at 23°C | Hepacivirus C | |
0.0000016 | - |
(2R,6S,12Z,13aS,14aR,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-([7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine | mutant enzyme M485A/V524A/Q526A, at 23°C | Hepacivirus C | |
0.0000028 | - |
(2S,4S)-1-((S)-2-((R)-2-cyclohexyl-2-(prop-1-en-2-ylamino)acetamido)-3,3-dimethylbutanoyl)-N-((1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropyl)-4-phenylpyrrolidine-2-carboxamide | mutant enzyme M485A/V524A/Q526A, at 23°C | Hepacivirus C | |
0.0000095 | - |
N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | wild type enzyme, at 23°C | Hepacivirus C | |
0.000015 | - |
N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | mutant enzyme M485A/V524A/Q526A, at 23°C | Hepacivirus C | |
0.000022 | - |
(2S,6S,12Z,13aS,14aR,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-[4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | wild type enzyme, at 23°C | Hepacivirus C | |
0.000041 | - |
N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-([2-[2-(dimethylamino)-1,3-thiazol-4-yl]pyridin-4-yl]oxy)-L-prolinamide | wild type enzyme, at 23°C | Hepacivirus C | |
0.000055 | - |
(2S,6S,12Z,13aS,14aR,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-[4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | mutant enzyme M485A/V524A/Q526A, at 23°C | Hepacivirus C | |
0.000071 | - |
N-acetyl-L-aspartyl-L-glutamyl-L-isoleucyl-L-valyl-(3R)-3-(benzyloxy)-L-prolyl-N-[(1S)-1-phenylethyl]-L-norleucinamide | wild type enzyme, at 23°C | Hepacivirus C | |
0.000078 | - |
N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-([2-[2-(dimethylamino)-1,3-thiazol-4-yl]pyridin-4-yl]oxy)-L-prolinamide | mutant enzyme M485A/V524A/Q526A, at 23°C | Hepacivirus C | |
0.00011 | - |
N-acetyl-L-aspartyl-L-glutamyl-L-isoleucyl-L-valyl-(3R)-3-(benzyloxy)-L-prolyl-N-[(1S)-1-phenylethyl]-L-norleucinamide | mutant enzyme M485A/V524A/Q526A, at 23°C | Hepacivirus C | |
0.00025 | - |
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(methylideneamino)cyclopropyl]-4-hydroxy-L-prolinamide | wild type enzyme, at 23°C | Hepacivirus C | |
0.00041 | - |
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(methylideneamino)cyclopropyl]-4-hydroxy-L-prolinamide | mutant enzyme M485A/V524A/Q526A, at 23°C | Hepacivirus C | |
0.002 | - |
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4S)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-phenyl-L-prolinamide | wild type enzyme, at 23°C | Hepacivirus C | |
0.0036 | - |
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4S)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-phenyl-L-prolinamide | mutant enzyme M485A/V524A/Q526A, at 23°C | Hepacivirus C |
kcat/KM Value [1/mMs-1] | kcat/KM Value Maximum [1/mMs-1] | Substrate | Comment | Organism | Structure |
---|---|---|---|---|---|
150 | - |
anthranilyl-DDIVPAbu[C(O)-O]AMY(3-NO2)TW-OH | mutant full-length protease M485A/V524A/Q562A, at 23°C | Hepacivirus C | |
840 | - |
anthranilyl-DDIVPAbu[C(O)-O]AMY(3-NO2)TW-OH | single chain NS3 protease domain, at 23°C | Hepacivirus C |