Double-bond reductase (DBR)
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Contents
What we know
Issues
Strategies
Reaction catalysed
Enzyme and Metabolite Background Information
Long metabolite names are abbreviated in the model for clarity and standard identification purposes.
Metabolite | Abbreviation | Chemical Formula | Molar mass (g/mol) | ChEBI | ChEMBL | PubChem | BRENDA | PlantCyc |
---|---|---|---|---|---|---|---|---|
limonene-3-hydroxylase | L3H | 56.1 kD | 1.14.13.47 | MONOMER-6761 | ||||
(-)-4S-limonene | limonene | C10H16 | 136.24 | 15384 | 449062 | 22311 or 439250 | ||
(-)-trans-isopiperitenol | isopiperitenol | C10H16O | 152.23344 | 15406 | 439410 | |||
NADPH | C21H30N7O17P3 | 745.42116 | 16474 | |||||
NADP+ | C21H29N7O17P3 | 744.41322 | 18009 | |||||
Dioxygen | O2 | O2 | 31.99880 | 15379 | ||||
water | H2O | H2O | 18.01530 | 15377 |
Equation Rate
Limonene-hydroxylase (L3H) is modelled using the reversible Michaelis-Menten equation.
Parameter | Description | Reference |
---|---|---|
VL3H | Reaction rate for Limonene-3-hydroxylase | ref |
Vmaxforward | Maximum reaction rate towards the production of (-)-trans-isopiperitenol | ref |
Kmlimonene | Michaelis-Menten constant for Limonene | ref |
Kmisopiperitenol | Michaelis-Menten constant for (-)-trans-isopiperitenol | ref |
KmNADPH | Michaelis-Menten constant for NADPH | ref |
KmNADP | Michaelis-Menten constant for NADP+ | ref |
Keq | Equilibrium constant | ref |
[limonene] | Limonene concentration | ref |
[isopiperitenol] | (-)-trans-isopiperitenol concentration | ref |
[NADPH] | NADPH concentration | ref |
[NADP] | NADP+ concentration | ref |
Strategies for estimating the kinetic parameter values
Standard Gibbs Free energy
The Gibbs free energy for PGR is -3.9565125 kcal.mol^-1. This value is estimated from the 'Contribution group' method by Latendresse, M. and is available from MetaCyc (EC 1.3.1.81) [1].
Calculating the Equilibrium Constant
The equilibrium constant can be calculated using the Van't Hoff Isotherm equation:
where;
Keq | Equilibrium constant |
-ΔG° | Gibbs free energy change. For (INSERT ENZYME) it is (INSERT VALUE) kJmol-1 |
R | Gas constant with a value of 8.31 JK-1mol-1 |
T | Temperature which is always expressed in kelvin |
Extracting Information from (INSERT SUBSTRATE/PRODUCT) Production Rates
A table will go here
Published Kinetic Parameter Values
A table will go here.
Detailed description of kinetic values obtained from literature
A more detailed description of the values listed above can be found here .
Simulations
References
- ↑ Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."