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Literature summary for 3.4.22.69 extracted from

  • Zhu, L.; George, S.; Schmidt, M.F.; Al-Gharabli, S.I.; Rademann, J.; Hilgenfeld, R.
    Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease (2011), Antiviral Res., 92, 204-212.
    View publication on PubMed
Search for more literature for 3.4.22.69

Crystallization (Commentary)

Crystallization (Comment) Organism
SARS-CoV Mpro in complex with Cm-FF-H, Ac-ESTLQ-H, Ac-DSFDQ-H, Ac-NSTSQ-H, Ac-NSFSQ-H, or Ac-ESTLQ-H, sitting drop vapor diffusion method, using 8% (w/v) PEG 6000, 0.1 M MES (pH 6.0), 3% (v/v) 2-methyl-2,4-pentanediol, and 3% (v/v) DMSO, at 20°C Severe acute respiratory syndrome-related coronavirus

Inhibitors

Inhibitors Comment Organism Structure
N-acetyl-DSFDQ micromolar inhibitor Severe acute respiratory syndrome-related coronavirus
N-acetyl-ESTLQ micromolar inhibitor Severe acute respiratory syndrome-related coronavirus
N-acetyl-NSFSQ micromolar inhibitor Severe acute respiratory syndrome-related coronavirus
N-acetyl-NSTSQ micromolar inhibitor Severe acute respiratory syndrome-related coronavirus
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-Na-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
 Severe acute respiratory syndrome-related coronavirus

KM Value [mM]

KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
0.0245
-
 Dabcyl-KTSAVLQSGFRKME-EDANS-amide in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication Severe acute respiratory syndrome-related coronavirus

Organism

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

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
Dabcyl-KTSAVLQSGFRKME-EDANS-amide + H2O
-
 Severe acute respiratory syndrome-related coronavirus Dabcyl-KTSAVLQ + SGFRKME-EDANS-amide
-
 ?
additional information no activity towards SWTSAVKQSGFRKWA, SWTSAVRQSGFRKWA, SWTSAVEQSGFRKWA, and SWTSAVDQSGFRKWA Severe acute respiratory syndrome-related coronavirus ?
-
 ?
additional information the substrate specificity of the enzyme requires glutamine in the P1 position and a large hydrophobic residue in the P2 position Severe acute respiratory syndrome-related coronavirus ?
-
 ?
SWTSAVAQSGFRKWA + H2O less than 10% activity compared to SWTSAVLQSGFRKWA Severe acute respiratory syndrome-related coronavirus SWTSAVAQ + SGFRKWA
-
 ?
SWTSAVCQSGFRKWA + H2O less than 1% activity compared to SWTSAVLQSGFRKWA Severe acute respiratory syndrome-related coronavirus SWTSAVCQ + SGFRKWA
-
 ?
SWTSAVFQSGFRKWA + H2O about 70% activity compared to SWTSAVLQSGFRKWA Severe acute respiratory syndrome-related coronavirus SWTSAVFQ + SGFRKWA
-
 ?
SWTSAVHQSGFRKWA + H2O less than 5% activity compared to SWTSAVLQSGFRKWA Severe acute respiratory syndrome-related coronavirus SWTSAVHQ + SGFRKWA
-
 ?
SWTSAVIQSGFRKWA + H2O about 45% activity compared to SWTSAVLQSGFRKWA Severe acute respiratory syndrome-related coronavirus SWTSAVIQ + SGFRKWA
-
 ?
SWTSAVLQSGFRKWA + H2O 100% activity Severe acute respiratory syndrome-related coronavirus SWTSAVLQ + SGFRKWA
-
 ?
SWTSAVMQSGFRKWA + H2O about 58% activity compared to SWTSAVLQSGFRKWA Severe acute respiratory syndrome-related coronavirus SWTSAVMQ + SGFRKWA
-
 ?
SWTSAVNQSGFRKWA + H2O less than 1% activity compared to SWTSAVLQSGFRKWA Severe acute respiratory syndrome-related coronavirus SWTSAVNQ + SGFRKWA
-
 ?
SWTSAVPQSGFRKWA + H2O about 10% activity compared to SWTSAVLQSGFRKWA Severe acute respiratory syndrome-related coronavirus SWTSAVPQ + SGFRKWA
-
 ?
SWTSAVQQSGFRKWA + H2O less than 5% activity compared to SWTSAVLQSGFRKWA Severe acute respiratory syndrome-related coronavirus SWTSAVQQ + SGFRKWA
-
 ?
SWTSAVSQSGFRKWA + H2O less than 1% activity compared to SWTSAVLQSGFRKWA Severe acute respiratory syndrome-related coronavirus SWTSAVSQ + SGFRKWA
-
 ?
SWTSAVTQSGFRKWA + H2O less than 5% activity compared to SWTSAVLQSGFRKWA Severe acute respiratory syndrome-related coronavirus SWTSAVTQ + SGFRKWA
-
 ?
SWTSAVVQSGFRKWA + H2O about 55% activity compared to SWTSAVLQSGFRKWA Severe acute respiratory syndrome-related coronavirus SWTSAVVQ + SGFRKWA
-
 ?
SWTSAVWQSGFRKWA + H2O less than 5% activity compared to SWTSAVLQSGFRKWA Severe acute respiratory syndrome-related coronavirus SWTSAVWQ + SGFRKWA
-
 ?
SWTSAVYQSGFRKWA + H2O less than 5% activity compared to SWTSAVLQSGFRKWA Severe acute respiratory syndrome-related coronavirus SWTSAVYQ + SGFRKWA
-
 ?

Synonyms

Synonyms Comment Organism
SARS coronavirus main protease
-
 Severe acute respiratory syndrome-related coronavirus
SARS-CoV Mpro
-
 Severe acute respiratory syndrome-related coronavirus

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.00224
-
 N-[(2S)-1-oxo-3-phenylpropan-2-yl]-Na-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication Severe acute respiratory syndrome-related coronavirus
0.00827
-
 N-acetyl-ESTLQ in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication Severe acute respiratory syndrome-related coronavirus
0.04098
-
 N-acetyl-NSFSQ in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication Severe acute respiratory syndrome-related coronavirus
0.04124
-
 N-acetyl-DSFDQ in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication Severe acute respiratory syndrome-related coronavirus
0.07273
-
 N-acetyl-NSTSQ in 40 mM Tris-HCl buffer, pH 7.3, temperature not specified in the publication Severe acute respiratory syndrome-related coronavirus