smallbone23

The SBML for this model was obtained from the BioModels database (BioModels ID: BIOMD0000000458) Biomodels notes: Table 6 and 7 that corresponds to the steady state concentrations of metabolites and steady state fluxes of reactions are reproduced as curation figure. The model was simulated using Copasi v4.8 (Build 35). JWS Online curation: This model was curated by reproducing the figures as described in the BioModels Notes. No additional changes were made.

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Kinetic modeling of metabolic pathways: application to serine biosynthesis.

  • Kieran Smallbone
  • Natalie J Stanford
Methods Mol. Biol. 2013; 985 : 113-121
Abstract
In this chapter, we describe the steps needed to create a kinetic model of a metabolic pathway using kinetic data from both experimental measurements and literature review. Our methodology is presented by using the example of serine biosynthesis in E. coli.

Unit definitions have no effect on the numerical analysis of the model. It remains the responsibility of the modeler to ensure the internal numerical consistency of the model. If units are provided, however, the consistency of the model units will be checked.

Name Definition
0.001 mole
0.001 mole litre^(-1.0)
1.0 second^(-1.0)
Id Name Spatial dimensions Size
cell cell 3.0 1.0
Id Name Initial quantity Compartment Fixed
p3g 3-phosphoglycerate 2.36 cell (cell)
php phosphohydroxypyruvate 0.6 cell (cell)
pser phosphoserine 0.09 cell (cell)
ser serine 4.9 cell (cell)
serA serA 1.15 cell (cell)
serB serB 0.25 cell (cell)
serC serC 0.1 cell (cell)

Initial assignments are expressions that are evaluated at time=0. It is not recommended to create initial assignments for all model entities. Restrict the use of initial assignments to cases where a value is expressed in terms of values or sizes of other model entities. Note that it is not permitted to have both an initial assignment and an assignment rule for a single model entity.

Definition
Id Name Objective coefficient Reaction Equation and Kinetic Law Flux bounds
PDH phosphoglycerate dehydrogenase p3g = php

cell * serA * kcatA * (p3g / KAp3g) / (1 + p3g / KAp3g + php / KAphp) / (1 + ser / KiAser)
PSA phosphoserine aminotransferase php = pser

cell * serC * kcatC * (php / KCphp) / (1 + php / KCphp + pser / KCpser)
PSP phosphoserine phosphatase pser = ser

cell * serB * kcatB * (pser / KBpser) / (1 + pser / KBpser + ser / KBser)

Global parameters

Id Value

Local parameters

Id Value Reaction
kcatA 0.55 per s PDH (phosphoglycerate dehydrogenase)
KAp3g 1.2 mM PDH (phosphoglycerate dehydrogenase)
KAphp 0.0032 mM PDH (phosphoglycerate dehydrogenase)
KiAser 0.0038 mM PDH (phosphoglycerate dehydrogenase)
kcatC 1.75 per s PSA (phosphoserine aminotransferase)
KCphp 0.0015 mM PSA (phosphoserine aminotransferase)
KCpser 0.0017 mM PSA (phosphoserine aminotransferase)
kcatB 1.43 per s PSP (phosphoserine phosphatase)
KBpser 0.0015 mM PSP (phosphoserine phosphatase)
KBser 0.15 mM PSP (phosphoserine phosphatase)

Assignment rules

Definition

Rate rules

Definition

Algebraic rules

Definition
Trigger Assignments