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Information on EC 3.4.22.69 - SARS coronavirus main proteinase and Organism(s) Severe acute respiratory syndrome coronavirus and UniProt Accession P0C6U8

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Severe acute respiratory syndrome coronavirus
UNIPROT: P0C6U8 not found.
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The enzyme appears in selected viruses and cellular organisms
Synonyms
main protease, sars-cov-2 main protease, 3cl protease, sars-cov 3clpro, sars-cov mpro, coronavirus main protease, protease mpro, sars-cov 3cl protease, sars-cov main protease, coronavirus 3c-like protease, more
SYNONYM
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
3cLpro
C30.004
-
-
-
-
Mpro
-
-
-
-
porcine transmissible gastroenteritis virus Mpro
-
-
-
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TGEV Mpro
-
-
-
-
REACTION TYPE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
hydrolysis of peptide bond
-
-
-
-
CAS REGISTRY NUMBER
COMMENTARY hide
218925-73-6
-
37353-41-6
-
SUBSTRATE
PRODUCT                       
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate) hide
LITERATURE
(Substrate)
COMMENTARY
(Product) hide
LITERATURE
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
DABCYL-TSAVLQSGFRKME-EDANS + H2O
DABCYL-TSAVLQ + SGFRKME-EDANS
show the reaction diagram
internally quenched fluorescent peptide containing a consensus cleavage sequence, with DABCYL at the N-terminal and EDANS at the C-terminal end
-
-
?
SARS-CoV Trx/GST-tagged C145A 3CLpro mutant + 2 H2O
Trx-10aa + C145A 3CLpro mutant + 10aa-GST
show the reaction diagram
-
contains 2 x 10 additional amino acids for cleavage, substrate for 3CLpro processing by the wild-type 3CLpro, substrate is catalytically inactive
-
-
?
SARS-CoV-2 Trx/GST-tagged C145A 3CLpro mutant + 2 H2O
Trx-10aa + C145A 3CLpro mutant + 10aa-GST
show the reaction diagram
-
contains 2 x 10 additional amino acids for cleavage, substrate for 3CLpro processing by the wild-type 3CLpro, substrate is catalytically inactive
-
-
?
additional information
?
-
-
SARSCoV 3CLpro favors Ala and Ser, followed by Gly at the P1' position
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-
-
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
(-)-epigallocatechin-3-gallate
remarkable inhibitory activity against SARS-CoV-2 3CLpro. In molecular docking, (-)-Epigallocatechin-3-gallatestrongly interacts with the substrate binding pocket of SARS-CoV-2 3CLpro, forming hydrogen bonds with catalytic residues C145 and H41
1,2,3,4,6-pentagalloylglucose
remarkable inhibitory activity against SARS-CoV-2 3CLpro. In molecular docking, 1,2,3,4,6-pentagalloylglucose strongly interacts with the substrate binding pocket of SARS-CoV-2 3CLpro, forming hydrogen bonds with catalytic residues C145 and H41
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2-(1H-benzotriazol-1-yl)-N-[4-(1H-imidazol-4-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
-
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2-(1H-benzotriazol-1-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
-
-
2-(1H-benzotriazol-1-yl)-N-[4-(pyridin-3-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
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2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)-N-[4-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]acetamide
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-
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide
-
-
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide
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2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(3-pyridyl)phenyl]acetamide
-
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2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-2-pyridyl]acetamide
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2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[6-(1H-pyrazol-4-yl)-3-pyridyl]acetamide
-
-
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
noncovalent inhibitor, evaluation of unbinding pathways
N-[4-(1H-imidazol-4-yl)phenyl]-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)acetamide
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N-[4-(1H-pyrazol-4-yl)phenyl]-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)acetamide
-
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N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-[(2-methylbutan-2-yl)amino]-1-(1-methyl-1H-pyrrol-2-yl)-2-oxoethyl]acetamide
noncovalent inhibitor, evalutation of unbinding pathways, Met49 and Gln189 are important residues for interactions
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KM VALUE [mM]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
0.0423
DABCYL-TSAVLQSGFRKME-EDANS
pH not specified in the publication, temperature not specified in the publication
-
TURNOVER NUMBER [1/s]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
2.88
DABCYL-TSAVLQSGFRKME-EDANS
pH not specified in the publication, temperature not specified in the publication
-
kcat/KM VALUE [1/mMs-1]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
68.08
DABCYL-TSAVLQSGFRKME-EDANS
pH not specified in the publication, temperature not specified in the publication
-
IC50 VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
IMAGE
0.025
(-)-epigallocatechin-3-gallate
severe acute respiratory syndrome coronavirus
pH not specified in the publication, temperature not specified in the publication
0.0069
1,2,3,4,6-pentagalloylglucose
severe acute respiratory syndrome coronavirus
pH not specified in the publication, temperature not specified in the publication
-
0.148
2-(1H-benzotriazol-1-yl)-N-[4-(1H-imidazol-4-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
severe acute respiratory syndrome coronavirus
pH 7.5, 25°C
-
0.106
2-(1H-benzotriazol-1-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
severe acute respiratory syndrome coronavirus
pH 7.5, 25°C
-
0.93
2-(1H-benzotriazol-1-yl)-N-[4-(pyridin-3-yl)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
severe acute respiratory syndrome coronavirus
pH 7.5, 25°C
-
0.657
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)-N-[4-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]acetamide
severe acute respiratory syndrome coronavirus
pH 7.5, 25°C
-
0.208
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide
severe acute respiratory syndrome coronavirus
pH 7.5, 25°C
-
0.206
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide
severe acute respiratory syndrome coronavirus
pH 7.5, 25°C
-
0.25
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(3-pyridyl)phenyl]acetamide
severe acute respiratory syndrome coronavirus
pH 7.5, 25°C
-
0.214
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[5-(1H-pyrazol-4-yl)-2-pyridyl]acetamide
severe acute respiratory syndrome coronavirus
pH 7.5, 25°C
-
0.336
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[6-(1H-pyrazol-4-yl)-3-pyridyl]acetamide
severe acute respiratory syndrome coronavirus
pH 7.5, 25°C
-
0.02
ML300
severe acute respiratory syndrome coronavirus
pH 7.5, 25°C
0.019
N-[4-(1H-imidazol-4-yl)phenyl]-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)acetamide
severe acute respiratory syndrome coronavirus
pH 7.5, 25°C
-
0.334
N-[4-(1H-pyrazol-4-yl)phenyl]-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)acetamide
severe acute respiratory syndrome coronavirus
pH 7.5, 25°C
-
ORGANISM
COMMENTARY hide
LITERATURE
UNIPROT
SEQUENCE DB
SOURCE
replicase polyprotein 1a
UniProt
Manually annotated by BRENDA team
GENERAL INFORMATION
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
metabolism
UNIPROT
ENTRY NAME
ORGANISM
NO. OF AA
NO. OF TRANSM. HELICES
MOLECULAR WEIGHT[Da]
SOURCE
SEQUENCE
LOCALIZATION PREDICTION?
R1A_SARS
4382
14
486373
Swiss-Prot
other Location (Reliability: 2)
SUBUNIT
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
?
x * 37400, SDS-PAGE, recombinant protein
CRYSTALLIZATION (Commentary)
ORGANISM
UNIPROT
LITERATURE
structures of SARS-CoV-1 and SARS-CoV-2 3CLpro enzymes in complex with multiple ML300-based inhibitors. The inhibitors utilize a noncovalent mode of action and complex in a noncanonical binding mode
PROTEIN VARIANTS
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
C145A
-
catalytically inactive
APPLICATION
ORGANISM
UNIPROT
COMMENTARY hide
LITERATURE
analysis
REF.
AUTHORS
TITLE
JOURNAL
VOL.
PAGES
YEAR
ORGANISM (UNIPROT)
PUBMED ID
SOURCE
Chiou, W.; Chen, J.; Chen, Y.; Yang, J.; Hwang, L.; Lyu, Y.; Yang, H.; Huang, C.
The inhibitory effects of PGG and EGCG against the SARS-CoV-2 3C-like protease
Biochem. Biophys. Res. Commun.
591
130-136
2022
severe acute respiratory syndrome coronavirus (P0C6X7), Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
Manually annotated by BRENDA team
Kuo, C.J.; Liang, P.H.
SARS-CoV-2 3CLpro displays faster self-maturation in vitro than SARS-CoV 3CLpro due to faster C-terminal cleavage
FEBS Lett.
596
1214-1224
2022
severe acute respiratory syndrome coronavirus, Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
Manually annotated by BRENDA team
Han, S.; Goins, C.; Arya, T.; Shin, W.; Maw, J.; Hooper, A.; Sonawane, D.; Porter, M.; Bannister, B.; Crouch, R.; Lindsey, A.; Lakatos, G.; Martinez, S.; Alvarado, J.; Akers, W.; Wang, N.; Jung, J.; MacDonald, J.; Stauffer, S.
Structure-based optimization of ML300-derived, noncovalent inhibitors targeting the severe acute respiratory syndrome coronavirus 3CL protease (SARS-CoV-2 3CLpro)
J. Med. Chem.
65
2880-2904
2022
severe acute respiratory syndrome coronavirus (P0C6X7), Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
Manually annotated by BRENDA team
Tiyoula, F.T.; Aryapour, H.
Reconstruction of the unbinding pathways of noncovalent SARS-CoV and SARS-CoV-2 3CLpro inhibitors using unbiased molecular dynamics simulations
PLoS One
17
e0263251
2022
severe acute respiratory syndrome coronavirus (P0C6U8), Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
Manually annotated by BRENDA team