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Literature summary for 3.4.22.69 extracted from

  • Lee, C.C.; Kuo, C.J.; Ko, T.P.; Hsu, M.F.; Tsui, Y.C.; Chang, S.C.; Yang, S.; Chen, S.J.; Chen, H.C.; Hsu, M.C.; Shih, S.R.; Liang, P.H.; Wang, A.H.
    Structural basis of inhibition specificities of 3C and 3C-like proteases by zinc-coordinating and peptidomimetic Compounds (2009), J. Biol. Chem., 284, 7646-7655.
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

Cloned (Comment) Organism
expressed in Escherichia coli BL21 cells Severe acute respiratory syndrome-related coronavirus

Crystallization (Commentary)

Crystallization (Comment) Organism
complexed with inhibitors TG-0204998 and TG-0205486, sitting drop vapor diffusion method, using 3-6% (w/v) PEG 6000, 4-6% (v/v) DMSO or methyl-2,4-pentanediol, 1 mM dithiothreitol, 0.1 M MES, pH 6.5 Severe acute respiratory syndrome-related coronavirus
crystal structures of 3Cpro from CVB3 and 3CLpro from CoV-229E and SARS-CoV in complex with inhibitors are solved Severe acute respiratory syndrome-related coronavirus

Inhibitors

Inhibitors Comment Organism Structure
N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1S,2E)-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pent-2-en-1-yl]-L-leucinamide inhibits the viral protease, thus preventing CVB3 genome replication Severe acute respiratory syndrome-related coronavirus
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S)-1-formyl-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-L-phenylalaninamide inhibits the viral protease, thus preventing CVB3 genome replication Severe acute respiratory syndrome-related coronavirus
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S,2E)-4-cyclopropyl-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]but-2-en-1-yl]-L-leucinamide
-
Severe acute respiratory syndrome-related coronavirus
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]but-2-en-1-yl]-L-leucinamide
-
Severe acute respiratory syndrome-related coronavirus
TG-0203770
-
Severe acute respiratory syndrome-related coronavirus
TG-0204998
-
Severe acute respiratory syndrome-related coronavirus
TG-0205221
-
Severe acute respiratory syndrome-related coronavirus
TG-0205486
-
Severe acute respiratory syndrome-related coronavirus
zinc N-ethyl-N-phenyldithiocarbamate
-
Severe acute respiratory syndrome-related coronavirus

Organism

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

Purification (Commentary)

Purification (Comment) Organism
glutathione S-transferase column chromatography and HiTrap 26/10 QFF column chroamtography Severe acute respiratory syndrome-related coronavirus

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
-
Severe acute respiratory syndrome-related coronavirus Dabcyl-KTSAVLQ + SGFRKME-EDANS
-
?
SAVLQSGFRK + H2O
-
Severe acute respiratory syndrome-related coronavirus SAVLQ + SGFRK
-
?

Subunits

Subunits Comment Organism
homodimer x-ray crystallography Severe acute respiratory syndrome-related coronavirus

Synonyms

Synonyms Comment Organism
3C-like protease
-
Severe acute respiratory syndrome-related coronavirus
3cLpro
-
Severe acute respiratory syndrome-related coronavirus
SARS-CoV 3CLpro
-
Severe acute respiratory syndrome-related coronavirus

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000038
-
N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1S,2E)-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]pent-2-en-1-yl]-L-leucinamide
-
Severe acute respiratory syndrome-related coronavirus
0.000038
-
TG-0204998 in 10 mM MES, pH 6.5, and 25°C Severe acute respiratory syndrome-related coronavirus
0.000054
-
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S)-1-formyl-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-L-phenylalaninamide
-
Severe acute respiratory syndrome-related coronavirus
0.000054
-
TG-0205221 in 10 mM MES, pH 6.5, and 25°C Severe acute respiratory syndrome-related coronavirus
0.000058
-
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]but-2-en-1-yl]-L-leucinamide
-
Severe acute respiratory syndrome-related coronavirus
0.000058
-
TG-0203770 in 10 mM MES, pH 6.5, and 25°C Severe acute respiratory syndrome-related coronavirus
0.000099
-
N-[(benzyloxy)carbonyl]-O-tert-butylthreonyl-N-[(1S,2E)-4-cyclopropyl-4-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]but-2-en-1-yl]-L-leucinamide
-
Severe acute respiratory syndrome-related coronavirus
0.000099
-
TG-0205486 in 10 mM MES, pH 6.5, and 25°C Severe acute respiratory syndrome-related coronavirus

General Information

General Information Comment Organism
physiological function the enzyme is required for viral polyprotein processing Severe acute respiratory syndrome-related coronavirus