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Literature summary for 3.1.1.1 extracted from

  • Canaan, S.; Maurin, D.; Chahinian, H.; Pouilly, B.; Durousseau, C.; Frassinetti, F.; Scappuccini-Calvo, L.; Cambillau, C.; Bourne, Y.
    Expression and characterization of the protein Rv1399c from Mycobacterium tuberculosis. A novel carboxyl esterase structurally related to the HSL family (2004), Eur. J. Biochem., 271, 3953-3961.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
diethyl 4-nitrophenyl phosphate i.e. E600, strong inhibitor Mycobacterium tuberculosis

Molecular Weight [Da]

Molecular Weight [Da] Molecular Weight Maximum [Da] Comment Organism
31700
-
x * 31700, calculated Mycobacterium tuberculosis

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis
-
protein Rv1399c, overexpressed in Escherichia coli
-

Reaction

Reaction Comment Organism Reaction ID
a carboxylic ester + H2O = an alcohol + a carboxylate catalytic triad consists of S162, H290, and D260 and is located at the bottom of a solvent accessible pocket. The guanidine moiety close to H290 confers a low pH shift of the catalytic His molecule Mycobacterium tuberculosis

Specific Activity [micromol/min/mg]

Specific Activity Minimum [µmol/min/mg] Specific Activity Maximum [µmol/min/mg] Comment Organism
184
-
substrate triacetin, pH 7.0, 25°C Mycobacterium tuberculosis
456
-
substrate tributyrine, pH 7.0, 25°C Mycobacterium tuberculosis
610
-
substrate vinyl acetate, pH 7.0, 25°C Mycobacterium tuberculosis
1123
-
substrate vinyl butanoate, pH 7.0, 25°C Mycobacterium tuberculosis
1350
-
substrate tripropionin, pH 7.0, 25°C Mycobacterium tuberculosis
1618
-
substrate vinyl propionate, pH 7.0, 25°C Mycobacterium tuberculosis

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
triacetin + H2O
-
Mycobacterium tuberculosis ?
-
?
tributyrin + H2O
-
Mycobacterium tuberculosis ?
-
?
tripropionin + H2O
-
Mycobacterium tuberculosis ?
-
?
vinyl acetate + H2O
-
Mycobacterium tuberculosis vinyl alcohol + acetate
-
?
vinyl butanoate + H2O
-
Mycobacterium tuberculosis vinyl alcohol + butanoate
-
?
vinyl propionate + H2O
-
Mycobacterium tuberculosis vinyl alcohol + propionate
-
?

Subunits

Subunits Comment Organism
? x * 31700, calculated Mycobacterium tuberculosis

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
45
-
-
Mycobacterium tuberculosis

Temperature Stability [°C]

Temperature Stability Minimum [°C] Temperature Stability Maximum [°C] Comment Organism
60
-
no enzymic activity above Mycobacterium tuberculosis

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7 9 broad Mycobacterium tuberculosis

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000003
-
diethyl 4-nitrophenyl phosphate pH 7.0, 25°C Mycobacterium tuberculosis

pI Value

Organism Comment pI Value Maximum pI Value
Mycobacterium tuberculosis calculated
-
4.53