Team:Manchester/Model/HorseRadishPeroxidaseReaction
Horseradish Peroxidase Reaction
Oxidation of ABTS using Horseradish Peroxidase (EC 1.11.1.7)
Chemical Equation
$${Hydrogen}\ {Peroxide} + {ABTS} \rightleftharpoons {ABTS}_{Oxidised} + {Water}$$Rate Equation
$$\nu = \frac{K_{cat}[HRP] \frac{[H_2 O_2]}{K_{m,H_2 O_2}}\left({ 1- \frac{[H_2 O_2][ABTS]}{[ABTS_{Oxidised}]} \frac{1}{K_{eq}}} \right)}{1+\frac{[H_2 O_2]}{K_{m,H_2 O_2}}+\frac{[ABTS]}{K_{m,ABTS}}+\frac{[H_2 O_2][ABTS]}{K_{m,ABTS}K_{m,H_2 O_2}}+\frac{[ABTS_{Oxidised}]}{K_{m,ABTS_{Oxidised}}}} $$where:
| Symbol | Meaning |
|---|---|
| $$K_{m,A}$$ | Michaelis constant of species A |
| $$K_{cat}$$ | Turnover number |
| $$[A]$$ | Concentration of A |
| $$ \nu$$ | Reaction Rate |
Parameter Sourcing
Kcat and Km parameters were collected from BRENDA
Keq was calculated using the Van’t Hoff equation using the Gibbs free energy sourced from MetaCyc
$$ K_{eq} = e^{\frac{-\Delta G} {RT}}$$Parameters with uncertainty
Km
Uncertainty in Km is introduced through the range of experimental parameters sourced. Properties of the raw data can be seen in the table below:
| Property | Value |
|---|---|
| Minimum | 0.005 mM |
| Maximum | 23.3 mM |
| Mean | 1.78 mM |
| Parameters Sourced | 50 |
Kcat
Uncertainty in Kcat is introduced through the range of experimental parameters sourced. Properties of the raw data can be seen in the table below:
| Property | Value |
|---|---|
| Minimum | 0.3 s-1 |
| Maximum | 201.8 s-1 |
| Mean | 59.4 s-1 |
| Parameters Sourced | 5 |
Keq
Uncertainty in Keq is introduced using a uniform range of temperature variations (298 K ± 5 K). Properties of this can be seen in the table below:
| Property | Value |
|---|---|
| $$-\Delta G$$ | 254.520071288 kJ |
| Minimum Temperature | 293 K |
| Maximum Temperature | 303 K |
