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Literature summary for 3.4.22.69 extracted from

  • Akaji, K.; Konno, H.; Mitsui, H.; Teruya, K.; Shimamoto, Y.; Hattori, Y.; Ozaki, T.; Kusunoki, M.; Sanjoh, A.
    Structure-based design, synthesis, and evaluation of peptide-mimetic SARS 3CL protease inhibitors (2011), J. Med. Chem., 54, 7962-7973.
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
mutant enzyme R188I alone or in complex with several inhibitors, sitting drop vapor diffusion method, using 9-11% (w/v) of PEG 20000, 100 mM MES, pH 6.0, and 5 mM dithiothreitol Severe acute respiratory syndrome-related coronavirus

Protein Variants

Protein Variants Comment Organism
R188I the enzymatic efficiency of the R188I mutant is increased by a factor of more than 1 million Severe acute respiratory syndrome-related coronavirus

Inhibitors

Inhibitors Comment Organism Structure
additional information not inhibited by N-acetyl-Ser-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CH2CH-CHCOOEt and N-acetyl-Ser-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-(CH2)2-CH-CHCOOEt Severe acute respiratory syndrome-related coronavirus
N-(2-[2-[(2S)-1-cyclohexyl-3-oxopropan-2-yl]hydrazinyl]-4-methylpentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
-
Severe acute respiratory syndrome-related coronavirus
N-(2-[2-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]hydrazinyl]-4-methylpentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
-
Severe acute respiratory syndrome-related coronavirus
N-(4-methyl-2-[2-[(2S)-1-oxo-3-(thiophen-2-yl)propan-2-yl]hydrazinyl]pentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
-
Severe acute respiratory syndrome-related coronavirus
N-(4-methyl-2-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]pentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
-
Severe acute respiratory syndrome-related coronavirus
N-acetyl-Ala-Val-Cha-His
-
Severe acute respiratory syndrome-related coronavirus
N-acetyl-Asn-Val-Cha-His
-
Severe acute respiratory syndrome-related coronavirus
N-acetyl-Ser-Ala-Val-Cha-His
-
Severe acute respiratory syndrome-related coronavirus
N-acetyl-Ser-Ala-Val-Leu-His
-
Severe acute respiratory syndrome-related coronavirus
N-acetyl-Ser-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CH=CHCOOEt
-
Severe acute respiratory syndrome-related coronavirus
N-acetyl-Ser-Ala-Val-Leu-NHCH-(CH2CH2CON(CH3)2)-CHO
-
Severe acute respiratory syndrome-related coronavirus
N-acetyl-Ser-Ala-Val-Leu-NHCH[CH2CH2CON(CH3)2]CH2CH2CH=CHCOOC2H5
-
Severe acute respiratory syndrome-related coronavirus
N-acetyl-Ser-Ala-Val-Phe-His
-
Severe acute respiratory syndrome-related coronavirus
N-acetyl-Ser-Val-Cha-His
-
Severe acute respiratory syndrome-related coronavirus
N-acetyl-Thr-Val-Cha-His
-
Severe acute respiratory syndrome-related coronavirus

Organism

Organism UniProt Comment Textmining
Severe acute respiratory syndrome-related coronavirus P0C6U8
-
-

Purification (Commentary)

Purification (Comment) Organism
-
Severe acute respiratory syndrome-related coronavirus

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
H-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-NH2 + H2O
-
Severe acute respiratory syndrome-related coronavirus H-Thr-Ser-Ala-Val-Leu-Gln + Ser-Gly-Phe-Arg-Lys-NH2
-
?

Synonyms

Synonyms Comment Organism
3CL protease
-
Severe acute respiratory syndrome-related coronavirus
chymotrypsin-like protease
-
Severe acute respiratory syndrome-related coronavirus
SARS 3CL protease
-
Severe acute respiratory syndrome-related coronavirus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000065
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37°C Severe acute respiratory syndrome-related coronavirus N-acetyl-Ser-Ala-Val-Cha-His
0.00027
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37°C Severe acute respiratory syndrome-related coronavirus N-acetyl-Ala-Val-Cha-His
0.00034
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37°C Severe acute respiratory syndrome-related coronavirus N-acetyl-Ser-Val-Cha-His
0.00039
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37°C Severe acute respiratory syndrome-related coronavirus N-acetyl-Ser-Ala-Val-Phe-His
0.00098
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37°C Severe acute respiratory syndrome-related coronavirus N-acetyl-Thr-Val-Cha-His
0.0057
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37°C Severe acute respiratory syndrome-related coronavirus N-acetyl-Ser-Ala-Val-Leu-His
0.01
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37°C Severe acute respiratory syndrome-related coronavirus N-acetyl-Asn-Val-Cha-His
0.037
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37°C Severe acute respiratory syndrome-related coronavirus N-acetyl-Ser-Ala-Val-Leu-NHCH-(CH2CH2CON(CH3)2)-CHO
0.048
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37°C Severe acute respiratory syndrome-related coronavirus N-(4-methyl-2-[2-[(2S)-1-oxo-3-(thiophen-2-yl)propan-2-yl]hydrazinyl]pentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
0.062
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37°C Severe acute respiratory syndrome-related coronavirus N-(2-[2-[(2S)-1-cyclohexyl-3-oxopropan-2-yl]hydrazinyl]-4-methylpentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
0.33
-
in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37°C Severe acute respiratory syndrome-related coronavirus N-acetyl-Ser-Ala-Val-Leu-NHCH(CH2CH2CON(CH3)2)-CH=CHCOOEt
2
-
IC50 about 2 mM, in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37°C Severe acute respiratory syndrome-related coronavirus N-(4-methyl-2-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]pentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide
3
-
IC50 about 3 mM, in 10 mM Tris-HCl buffer, pH 7.5, containing 7 mM dithiothreitol, at 37°C Severe acute respiratory syndrome-related coronavirus N-(2-[2-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]hydrazinyl]-4-methylpentanoyl)valyl-N-(1-hydroxy-3,4-dioxopentan-2-yl)alaninamide