BioModels Database logo

BioModels Database

spacer

BIOMD0000000565 - Machado2014 - Curcumin production pathway in Escherichia coli

 

 |   |   |  Send feedback
Reference Publication
Publication ID: 25218090
Machado D, Rodrigues LR, Rocha I.
A kinetic model for curcumin production in Escherichia coli.
BioSystems 2014 Nov; 125: 16-21
Centre of Biological Engineering, University of Minho, Campus de Gualtar, 4710-057 Braga, Portugal. Electronic address: dmachado@deb.uminho.pt.  [more]
Model
Original Model: BIOMD0000000565.origin
Submitter: Daniel Machado
Submission ID: MODEL1406060000
Submission Date: 06 Jun 2014 13:46:58 UTC
Last Modification Date: 12 Jan 2015 14:14:03 UTC
Creation Date: 12 Jan 2015 12:35:17 UTC
Encoders:  Vijayalakshmi Chelliah
   Daniel Machado
set #1
bqmodel:isDerivedFrom BioModels Database Chassagnole2002_Carbon_Metabolism
set #2
bqbiol:hasTaxon Taxonomy Escherichia coli
set #3
bqbiol:isVersionOf Gene Ontology curcumin metabolic process
Notes
Machado2014 - Curcumin production pathway in Escherichia coli

This model is described in the article:

Machado D, Rodrigues LR, Rocha I.
BioSystems 2014 Nov; 125: 16-21

Abstract:

Curcumin is a natural compound obtained from turmeric, and is well known for its pharmacological effects. In this work, we design a heterologous pathway for industrial production of curcumin in Escherichia coli. A kinetic model of the pathway is then developed and connected to a kinetic model of the central carbon metabolism of E. coli. This model is used for optimization of the mutant strain through a rational design approach, and two manipulation targets are identified for overexpression. Dynamic simulations are then performed to compare the curcumin production profiles of the different mutant strains. Our results show that it is possible to obtain a significant improvement in the curcumin production rates with the proposed mutants. The kinetic model here developed can be an important framework to optimize curcumin production at an industrial scale and add value to its biomedical potential.

To the extent possible under law, all copyright and related or neighbouring rights to this encoded model have been dedicated to the public domain worldwide. Please refer to CC0 Public Domain Dedication for more information.

Model
Publication ID: 25218090 Submission Date: 06 Jun 2014 13:46:58 UTC Last Modification Date: 12 Jan 2015 14:14:03 UTC Creation Date: 12 Jan 2015 12:35:17 UTC
Mathematical expressions
Reactions
Phosphotransferase system Glucose-6-phosphate isomerase Phosphoglucomutase Glucose-6-phosphate dehydrogenase
Phosphofructokinase Transaldolase Transketolase a Transketolase b
Mureine synthesis Aldolase Glyceraldehyde-3-phosphate dehydrogenase Triosephosphate isomerase
Tryptophan synthesis Glycerol-3-phosphate dehydrogenase Phosphoglycerate kinase Serine synthesis
Phosphoglycerate mutase Enolase Pyruvate kinase PEP carboxylase
Synthesis 1 Synthesis 2 DAHP synthesis Pyruvate dehydrogenase
Methionine synthesis 6-Phosphogluconate dehydrogenase Ribose-phosphate isomerase Ribulose-phosphate epimerase
Ribose phosphate pyrophosphokinase Glucose-1-phosphate adenyltransferase G6P degradation F6P degradation
FDP degradation GAP degradation DHAP degradation PGP degradation
PG3 degradation PG2 degradation PEP degradation Ribu5P dilution
Rib5P dilution XYL5P dilution SED7P dilution Pyruvate dilution
PG dilution E4P dilution GLP dilution Extracellular glucose kinetics
ACCOAC Synthesis 3 Synthesis 4 R4CL
DCS CURS FER_t CUR_t
EX_FER EX_CUR ACCOA dilution MALCOA dilution
FER dilution FERCOA dilution FERDICOA dilution CUR dilution
Physical entities
Compartments Species
extracellular Extracellular Glucose fer_ext cur_ext
cytosol Phosphoenol pyruvate Glucose-6-Phosphate Pyruvate
Fructose-6-Phosphate Glucose-1-Phosphate 6-Phosphogluconate
Fructose-1,6-bisphosphate sedoheptulose-7-phosphate Glyceraldehyde-3-Phosphate
Erythrose-4-phosphate Xylulose-5-phosphate Ribose-5-phosphate
Dihydroxyacetonephosphate 1,3-diphosphosphoglycerate 3-Phosphoglycerate
2-Phosphoglycerate Ribulose-5-phosphate accoa
malcoa fer fercoa
ferdicoa cur  
Global parameters
catp cadp camp cnadp
cnadph cnad cnadh Dil
Reactions (64)
 
 Phosphotransferase system [Extracellular Glucose] + [Phosphoenol pyruvate] → [Glucose-6-Phosphate] + [Pyruvate];   {Extracellular Glucose} , {Phosphoenol pyruvate} , {Pyruvate} , {Glucose-6-Phosphate}
 
 Glucose-6-phosphate isomerase [Glucose-6-Phosphate] ↔ [Fructose-6-Phosphate];   {6-Phosphogluconate} , {Glucose-6-Phosphate} , {Fructose-6-Phosphate} , {6-Phosphogluconate}
 
 Phosphoglucomutase [Glucose-6-Phosphate] ↔ [Glucose-1-Phosphate];   {Glucose-6-Phosphate} , {Glucose-1-Phosphate}
 
 Glucose-6-phosphate dehydrogenase [Glucose-6-Phosphate] → [6-Phosphogluconate];   {Glucose-6-Phosphate}
 
 Phosphofructokinase [Fructose-6-Phosphate] → [Fructose-1,6-bisphosphate];   {Phosphoenol pyruvate} , {Fructose-6-Phosphate} , {Phosphoenol pyruvate}
 
 Transaldolase [Glyceraldehyde-3-Phosphate] + [sedoheptulose-7-phosphate] ↔ [Fructose-6-Phosphate] + [Erythrose-4-phosphate];   {Glyceraldehyde-3-Phosphate} , {sedoheptulose-7-phosphate} , {Erythrose-4-phosphate} , {Fructose-6-Phosphate}
 
 Transketolase a [Ribose-5-phosphate] + [Xylulose-5-phosphate] ↔ [Glyceraldehyde-3-Phosphate] + [sedoheptulose-7-phosphate];   {Ribose-5-phosphate} , {Xylulose-5-phosphate} , {sedoheptulose-7-phosphate} , {Glyceraldehyde-3-Phosphate}
 
 Transketolase b [Erythrose-4-phosphate] + [Xylulose-5-phosphate] ↔ [Glyceraldehyde-3-Phosphate] + [Fructose-6-Phosphate];   {Xylulose-5-phosphate} , {Erythrose-4-phosphate} , {Fructose-6-Phosphate} , {Glyceraldehyde-3-Phosphate}
 
 Mureine synthesis 2.0 × [Fructose-6-Phosphate] → ;  
 
 Aldolase [Fructose-1,6-bisphosphate] ↔ [Dihydroxyacetonephosphate] + [Glyceraldehyde-3-Phosphate];   {Fructose-1,6-bisphosphate} , {Glyceraldehyde-3-Phosphate} , {Dihydroxyacetonephosphate}
 
 Glyceraldehyde-3-phosphate dehydrogenase [Glyceraldehyde-3-Phosphate] ↔ [1,3-diphosphosphoglycerate];   {Glyceraldehyde-3-Phosphate} , {1,3-diphosphosphoglycerate}
 
 Triosephosphate isomerase [Dihydroxyacetonephosphate] ↔ [Glyceraldehyde-3-Phosphate];   {Dihydroxyacetonephosphate} , {Glyceraldehyde-3-Phosphate}
 
 Tryptophan synthesis  → [Pyruvate] + [Glyceraldehyde-3-Phosphate];  
 
 Glycerol-3-phosphate dehydrogenase [Dihydroxyacetonephosphate] → ;   {Dihydroxyacetonephosphate}
 
 Phosphoglycerate kinase [1,3-diphosphosphoglycerate] ↔ [3-Phosphoglycerate];   {1,3-diphosphosphoglycerate} , {3-Phosphoglycerate}
 
 Serine synthesis [3-Phosphoglycerate] → ;   {3-Phosphoglycerate}
 
 Phosphoglycerate mutase [3-Phosphoglycerate] ↔ [2-Phosphoglycerate];   {3-Phosphoglycerate} , {2-Phosphoglycerate}
 
 Enolase [2-Phosphoglycerate] ↔ [Phosphoenol pyruvate];   {2-Phosphoglycerate} , {Phosphoenol pyruvate}
 
 Pyruvate kinase [Phosphoenol pyruvate] → [Pyruvate];   {Fructose-1,6-bisphosphate} , {Phosphoenol pyruvate} , {Fructose-1,6-bisphosphate}
 
 PEP carboxylase [Phosphoenol pyruvate] → ;   {Fructose-1,6-bisphosphate} , {Phosphoenol pyruvate} , {Fructose-1,6-bisphosphate}
 
 Synthesis 1 [Phosphoenol pyruvate] → ;   {Phosphoenol pyruvate}
 
 Synthesis 2 [Pyruvate] → ;   {Pyruvate}
 
 DAHP synthesis [Erythrose-4-phosphate] + [Phosphoenol pyruvate] → ;   {Erythrose-4-phosphate} , {Phosphoenol pyruvate}
 
 Pyruvate dehydrogenase [Pyruvate] → [accoa];   {Pyruvate} , {accoa}
 
 Methionine synthesis  → [Pyruvate];  
 
 6-Phosphogluconate dehydrogenase [6-Phosphogluconate] → [Ribulose-5-phosphate];   {6-Phosphogluconate}
 
 Ribose-phosphate isomerase [Ribulose-5-phosphate] ↔ [Ribose-5-phosphate];   {Ribulose-5-phosphate} , {Ribose-5-phosphate}
 
 Ribulose-phosphate epimerase [Ribulose-5-phosphate] ↔ [Xylulose-5-phosphate];   {Ribulose-5-phosphate} , {Xylulose-5-phosphate}
 
 Ribose phosphate pyrophosphokinase [Ribose-5-phosphate] → ;   {Ribose-5-phosphate}
 
 Glucose-1-phosphate adenyltransferase [Glucose-1-Phosphate] → ;   {Fructose-1,6-bisphosphate} , {Glucose-1-Phosphate} , {Fructose-1,6-bisphosphate}
 
 G6P degradation [Glucose-6-Phosphate] ↔ ;   {Glucose-6-Phosphate}
 
 F6P degradation [Fructose-6-Phosphate] ↔ ;   {Fructose-6-Phosphate}
 
 FDP degradation [Fructose-1,6-bisphosphate] ↔ ;   {Fructose-1,6-bisphosphate}
 
 GAP degradation [Glyceraldehyde-3-Phosphate] ↔ ;   {Glyceraldehyde-3-Phosphate}
 
 DHAP degradation [Dihydroxyacetonephosphate] ↔ ;   {Dihydroxyacetonephosphate}
 
 PGP degradation [1,3-diphosphosphoglycerate] ↔ ;   {1,3-diphosphosphoglycerate}
 
 PG3 degradation [3-Phosphoglycerate] ↔ ;   {3-Phosphoglycerate}
 
 PG2 degradation [2-Phosphoglycerate] ↔ ;   {2-Phosphoglycerate}
 
 PEP degradation [Phosphoenol pyruvate] ↔ ;   {Phosphoenol pyruvate}
 
 Ribu5P dilution [Ribulose-5-phosphate] ↔ ;   {Ribulose-5-phosphate}
 
 Rib5P dilution [Ribose-5-phosphate] ↔ ;   {Ribose-5-phosphate}
 
 XYL5P dilution [Xylulose-5-phosphate] ↔ ;   {Xylulose-5-phosphate}
 
 SED7P dilution [sedoheptulose-7-phosphate] ↔ ;   {sedoheptulose-7-phosphate}
 
 Pyruvate dilution [Pyruvate] ↔ ;   {Pyruvate}
 
 PG dilution [6-Phosphogluconate] ↔ ;   {6-Phosphogluconate}
 
 E4P dilution [Erythrose-4-phosphate] ↔ ;   {Erythrose-4-phosphate}
 
 GLP dilution [Glucose-1-Phosphate] ↔ ;   {Glucose-1-Phosphate}
 
 Extracellular glucose kinetics  → [Extracellular Glucose];   {Extracellular Glucose}
 
 ACCOAC [accoa] → [malcoa];   {accoa} , {malcoa}
 
 Synthesis 3 [accoa] → ;   {accoa}
 
 Synthesis 4 [malcoa] → ;   {malcoa}
 
 R4CL [fer] → [fercoa];   {fer}
 
 DCS [fercoa] + [malcoa] → [ferdicoa];   {fercoa} , {malcoa}
 
 CURS [fercoa] + [ferdicoa] → [cur];   {fercoa} , {ferdicoa}
 
 FER_t [fer_ext] ↔ [fer];   {fer_ext} , {fer}
 
 CUR_t [cur] ↔ [cur_ext];   {cur} , {cur_ext}
 
 EX_FER  → [fer_ext];   {fer_ext}
 
 EX_CUR [cur_ext] → ;   {cur_ext}
 
 ACCOA dilution [accoa] ↔ ;   {accoa}
 
 MALCOA dilution [malcoa] ↔ ;   {malcoa}
 
 FER dilution [fer] ↔ ;   {fer}
 
 FERCOA dilution [fercoa] ↔ ;   {fercoa}
 
 FERDICOA dilution [ferdicoa] ↔ ;   {ferdicoa}
 
 CUR dilution [cur] ↔ ;   {cur}
 
  Spatial dimensions: 3.0  Compartment size: 65.0
 
 Extracellular Glucose
Compartment: extracellular
Initial concentration: 55.5
 
 fer_ext
Compartment: extracellular
Initial concentration: 271.5
 
 cur_ext
Compartment: extracellular
Initial concentration: 0.0
 
  Spatial dimensions: 3.0  Compartment size: 1.0
 
 Phosphoenol pyruvate
Compartment: cytosol
Initial concentration: 2.67
 
 Glucose-6-Phosphate
Compartment: cytosol
Initial concentration: 3.48
 
 Pyruvate
Compartment: cytosol
Initial concentration: 2.67
 
 Fructose-6-Phosphate
Compartment: cytosol
Initial concentration: 0.6
 
 Glucose-1-Phosphate
Compartment: cytosol
Initial concentration: 0.653
 
 6-Phosphogluconate
Compartment: cytosol
Initial concentration: 0.808
 
 Fructose-1,6-bisphosphate
Compartment: cytosol
Initial concentration: 0.272
 
 sedoheptulose-7-phosphate
Compartment: cytosol
Initial concentration: 0.276
 
 Glyceraldehyde-3-Phosphate
Compartment: cytosol
Initial concentration: 0.218
 
 Erythrose-4-phosphate
Compartment: cytosol
Initial concentration: 0.098
 
 Xylulose-5-phosphate
Compartment: cytosol
Initial concentration: 0.138
 
 Ribose-5-phosphate
Compartment: cytosol
Initial concentration: 0.398
 
 Dihydroxyacetonephosphate
Compartment: cytosol
Initial concentration: 0.167
 
 1,3-diphosphosphoglycerate
Compartment: cytosol
Initial concentration: 0.008
 
 3-Phosphoglycerate
Compartment: cytosol
Initial concentration: 2.13
 
 2-Phosphoglycerate
Compartment: cytosol
Initial concentration: 0.399
 
 Ribulose-5-phosphate
Compartment: cytosol
Initial concentration: 0.111
 
 accoa
Compartment: cytosol
Initial concentration: 1.0
 
 malcoa
Compartment: cytosol
Initial concentration: 1.0
 
 fer
Compartment: cytosol
Initial concentration: 0.0
 
 fercoa
Compartment: cytosol
Initial concentration: 0.0
 
 ferdicoa
Compartment: cytosol
Initial concentration: 0.0
 
 cur
Compartment: cytosol
Initial concentration: 0.0
 
Global Parameters (8)
 
   catp
Value: 4.27   (Units: milli Molar)
Constant
 
   cadp
Value: 0.595   (Units: milli Molar)
Constant
 
   camp
Value: 0.955   (Units: milli Molar)
Constant
 
   cnadp
Value: 0.195   (Units: milli Molar)
Constant
 
   cnadph
Value: 0.062   (Units: milli Molar)
Constant
 
   cnad
Value: 1.47   (Units: milli Molar)
Constant
 
   cnadh
Value: 0.1   (Units: milli Molar)
Constant
 
   Dil
Constant
 
Phosphotransferase system (6)
 
   rmaxPTS
Value: 7829.78   (Units: mM per second)
Constant
 
   KPTSa1
Value: 3082.3   (Units: milli Molar)
Constant
 
   KPTSa2
Value: 0.01   (Units: milli Molar)
Constant
 
   KPTSa3
Value: 245.3   (Units: dimensionless)
Constant
 
   nPTSg6p
Value: 3.66   (Units: dimensionless)
Constant
 
   KPTSg6p
Value: 2.15   (Units: milli Molar)
Constant
 
Glucose-6-phosphate isomerase (6)
 
   rmaxPGI
Value: 650.9878687   (Units: mM per second)
Constant
 
   KPGIeq
Value: 0.1725   (Units: dimensionless)
Constant
 
   KPGIg6p
Value: 2.9   (Units: milli Molar)
Constant
 
   KPGIf6p
Value: 0.266   (Units: milli Molar)
Constant
 
   KPGIf6ppginh
Value: 0.2   (Units: milli Molar)
Constant
 
   KPGIg6ppginh
Value: 0.2   (Units: milli Molar)
Constant
 
Phosphoglucomutase (4)
 
   rmaxPGM
Value: 0.8398242773   (Units: mM per second)
Constant
 
   KPGMeq
Value: 0.196   (Units: dimensionless)
Constant
 
   KPGMg6p
Value: 1.038   (Units: milli Molar)
Constant
 
   KPGMg1p
Value: 0.0136   (Units: milli Molar)
Constant
 
Glucose-6-phosphate dehydrogenase (5)
 
   rmaxG6PDH
Value: 1.380196955   (Units: mM per second)
Constant
 
   KG6PDHg6p
Value: 14.4   (Units: milli Molar)
Constant
 
   KG6PDHnadphg6pinh
Value: 6.43   (Units: milli Molar)
Constant
 
   KG6PDHnadp
Value: 0.0246   (Units: milli Molar)
Constant
 
   KG6PDHnadphnadpinh
Value: 0.01   (Units: milli Molar)
Constant
 
Phosphofructokinase (11)
 
   rmaxPFK
Value: 1840.584747   (Units: mM per second)
Constant
 
   KPFKatps
Value: 0.123   (Units: milli Molar)
Constant
 
   KPFKadpc
Value: 4.14   (Units: milli Molar)
Constant
 
   KPFKf6ps
Value: 0.325   (Units: milli Molar)
Constant
 
   KPFKpep
Value: 3.26   (Units: milli Molar)
Constant
 
   KPFKadpb
Value: 3.89   (Units: milli Molar)
Constant
 
   KPFKampb
Value: 3.2   (Units: milli Molar)
Constant
 
   KPFKadpa
Value: 128.0   (Units: milli Molar)
Constant
 
   KPFKampa
Value: 19.1   (Units: milli Molar)
Constant
 
   LPFK
Value: 5629067.0   (Units: dimensionless)
Constant
 
   nPFK
Value: 11.1   (Units: dimensionless)
Constant
 
Transaldolase (2)
 
   rmaxTA
Value: 10.87164108   (Units: per mM per second)
Constant
 
   KTAeq
Value: 1.05   (Units: dimensionless)
Constant
 
Transketolase a (2)
 
   rmaxTKa
Value: 9.473384783   (Units: per mM per second)
Constant
 
   KTKaeq
Value: 1.2   (Units: dimensionless)
Constant
 
Transketolase b (2)
 
   rmaxTKb
Value: 86.55855855   (Units: per mM per second)
Constant
 
   KTKbeq
Value: 10.0   (Units: dimensionless)
Constant
 
Mureine synthesis (1)
 
   rmaxMurSynth
Constant
 
Aldolase (7)
 
   rmaxALDO
Value: 17.41464425   (Units: mM per second)
Constant
 
   kALDOeq
Value: 0.144   (Units: milli Molar)
Constant
 
   kALDOfdp
Value: 1.75   (Units: milli Molar)
Constant
 
   kALDOgap
Value: 0.088   (Units: milli Molar)
Constant
 
   VALDOblf
Value: 2.0   (Units: dimensionless)
Constant
 
   kALDOdhap
Value: 0.088   (Units: milli Molar)
Constant
 
   kALDOgapinh
Value: 0.6   (Units: milli Molar)
Constant
 
Glyceraldehyde-3-phosphate dehydrogenase (6)
 
   rmaxGAPDH
Value: 921.5942861   (Units: mM per second)
Constant
 
   KGAPDHeq
Value: 0.63   (Units: dimensionless)
Constant
 
   KGAPDHgap
Value: 0.683   (Units: milli Molar)
Constant
 
   KGAPDHpgp
Value: 1.04E-5   (Units: milli Molar)
Constant
 
   KGAPDHnad
Value: 0.252   (Units: milli Molar)
Constant
 
   KGAPDHnadh
Value: 1.09   (Units: milli Molar)
Constant
 
Triosephosphate isomerase (4)
 
   rmaxTIS
Value: 68.67474392   (Units: mM per second)
Constant
 
   kTISeq
Value: 1.39   (Units: dimensionless)
Constant
 
   kTISdhap
Value: 2.8   (Units: milli Molar)
Constant
 
   kTISgap
Value: 0.3   (Units: milli Molar)
Constant
 
Tryptophan synthesis (1)
 
   rmaxTrpSynth
Value: 0.001037   (Units: mM per second)
Constant
 
Glycerol-3-phosphate dehydrogenase (2)
 
   rmaxG3PDH
Value: 0.01162042696   (Units: mM per second)
Constant
 
   KG3PDHdhap
Value: 1.0   (Units: milli Molar)
Constant
 
Phosphoglycerate kinase (6)
 
   rmaxPGK
Value: 3021.773771   (Units: mM per second)
Constant
 
   KPGKeq
Value: 1934.4   (Units: dimensionless)
Constant
 
   KPGKadp
Value: 0.185   (Units: milli Molar)
Constant
 
   KPGKatp
Value: 0.653   (Units: milli Molar)
Constant
 
   KPGKpgp
Value: 0.0468   (Units: milli Molar)
Constant
 
   KPGKpg3
Value: 0.473   (Units: milli Molar)
Constant
 
Serine synthesis (2)
 
   rmaxSerSynth
Value: 0.025712107   (Units: mM per second)
Constant
 
   KSerSynthpg3
Value: 1.0   (Units: milli Molar)
Constant
 
Phosphoglycerate mutase (4)
 
   rmaxPGluMu
Value: 89.04965407   (Units: mM per second)
Constant
 
   KPGluMueq
Value: 0.188   (Units: dimensionless)
Constant
 
   KPGluMupg3
Value: 0.2   (Units: milli Molar)
Constant
 
   KPGluMupg2
Value: 0.369   (Units: milli Molar)
Constant
 
Enolase (4)
 
   rmaxENO
Value: 330.4476151   (Units: mM per second)
Constant
 
   KENOeq
Value: 6.73   (Units: milli Molar)
Constant
 
   KENOpg2
Value: 0.1   (Units: milli Molar)
Constant
 
   KENOpep
Value: 0.135   (Units: milli Molar)
Constant
 
Pyruvate kinase (8)
 
   rmaxPK
Value: 0.06113150238   (Units: mM per second)
Constant
 
   KPKpep
Value: 0.31   (Units: milli Molar)
Constant
 
   nPK
Value: 4.0   (Units: dimensionless)
Constant
 
   LPK
Value: 1000.0   (Units: dimensionless)
Constant
 
   KPKatp
Value: 22.5   (Units: milli Molar)
Constant
 
   KPKfdp
Value: 0.19   (Units: milli Molar)
Constant
 
   KPKamp
Value: 0.2   (Units: milli Molar)
Constant
 
   KPKadp
Value: 0.26   (Units: milli Molar)
Constant
 
PEP carboxylase (4)
 
   rmaxpepCxylase
Value: 0.1070205858   (Units: mM per second)
Constant
 
   KpepCxylasefdp
Value: 0.7   (Units: milli Molar)
Constant
 
   npepCxylasefdp
Value: 4.21   (Units: dimensionless)
Constant
 
   KpepCxylasepep
Value: 4.07   (Units: milli Molar)
Constant
 
Synthesis 1 (2)
 
   rmaxSynth1
Value: 0.01953897003   (Units: mM per second)
Constant
 
   KSynth1pep
Value: 1.0   (Units: milli Molar)
Constant
 
Synthesis 2 (2)
 
   rmaxSynth2
Value: 0.07361855055   (Units: mM per second)
Constant
 
   KSynth2pyr
Value: 1.0   (Units: milli Molar)
Constant
 
DAHP synthesis (5)
 
   rmaxDAHPS
Value: 0.1079531227   (Units: mM per second)
Constant
 
   nDAHPSe4p
Value: 2.6   (Units: dimensionless)
Constant
 
   nDAHPSpep
Value: 2.2   (Units: dimensionless)
Constant
 
   KDAHPSe4p
Value: 0.035   (Units: milli Molar)
Constant
 
   KDAHPSpep
Value: 0.0053   (Units: milli Molar)
Constant
 
Pyruvate dehydrogenase (4)
 
   rmaxPDH
Value: 270.27734   (Units: mM per second)
Constant
 
   nPDH
Value: 3.68   (Units: dimensionless)
Constant
 
   KPDHpyr
Value: 1159.0   (Units: milli Molar)
Constant
 
   Ki_PDH_accoa
Value: 0.0222222   (Units: milli Molar)
Constant
 
Methionine synthesis (1)
 
   rmaxMetSynth
Value: 0.0022627   (Units: mM per second)
Constant
 
6-Phosphogluconate dehydrogenase (5)
 
   rmaxPGDH
Value: 16.23235977   (Units: mM per second)
Constant
 
   KPGDHpg
Value: 37.5   (Units: milli Molar)
Constant
 
   KPGDHnadp
Value: 0.0506   (Units: milli Molar)
Constant
 
   KPGDHnadphinh
Value: 0.0138   (Units: milli Molar)
Constant
 
   KPGDHatpinh
Value: 208.0   (Units: milli Molar)
Constant
 
Ribose-phosphate isomerase (2)
 
   rmaxR5PI
Value: 4.83841193   (Units: second inverse)
Constant
 
   KR5PIeq
Value: 4.0   (Units: dimensionless)
Constant
 
Ribulose-phosphate epimerase (2)
 
   rmaxRu5P
Value: 6.739029475   (Units: second inverse)
Constant
 
   KRu5Peq
Value: 1.4   (Units: dimensionless)
Constant
 
Ribose phosphate pyrophosphokinase (2)
 
   rmaxRPPK
Value: 0.01290045226   (Units: mM per second)
Constant
 
   KRPPKrib5p
Value: 0.1   (Units: milli Molar)
Constant
 
Glucose-1-phosphate adenyltransferase (5)
 
   rmaxG1PAT
Value: 0.007525458026   (Units: mM per second)
Constant
 
   KG1PATfdp
Value: 0.119   (Units: milli Molar)
Constant
 
   nG1PATfdp
Value: 1.2   (Units: milli Molar)
Constant
 
   KG1PATatp
Value: 4.42   (Units: milli Molar)
Constant
 
   KG1PATg1p
Value: 3.2   (Units: milli Molar)
Constant
 
Extracellular glucose kinetics (1)
 
   cfeed_glc
Value: 110.96   (Units: milli Molar)
Constant
 
ACCOAC (3)
 
   rmaxACCOAC
Value: 0.04634   (Units: mM per second)
Constant
 
   K_ACCOAC_accoa
Value: 3.0E-4   (Units: milli Molar)
Constant
 
   Ki_ACCOAC_malcoa
Value: 0.1   (Units: milli Molar)
Constant
 
Synthesis 3 (2)
 
   rmaxSynth3
Value: 0.284   (Units: mM per second)
Constant
 
   KSynth3accoa
Value: 1.0   (Units: milli Molar)
Constant
 
Synthesis 4 (2)
 
   rmaxSynth4
Value: 0.092372   (Units: mM per second)
Constant
 
   KSynth4malcoa
Value: 1.0   (Units: milli Molar)
Constant
 
R4CL (3)
 
   E_4CL
Value: 100.0
Constant
 
   kcat_4CL
Value: 9.572
Constant
 
   Km_4CL
Value: 0.026
Constant
 
DCS (5)
 
   E_DCS
Value: 100.0
Constant
 
   kcat_DCS
Value: 0.01343
Constant
 
   Km_DCS_fercoa
Value: 0.046
Constant
 
   Km_DCS_malcoa
Value: 0.0084
Constant
 
   n_DCS_fercoa
Value: 1.8
Constant
 
CURS (4)
 
   E_CURS
Value: 100.0
Constant
 
   kcat_CURS
Value: 0.02163
Constant
 
   Km_CURS_fercoa
Value: 0.018
Constant
 
   Km_CURS_ferdicoa
Value: 0.018
Constant
 
FER_t (2)
 
   k_FER_t
Value: 1000.0   (Units: second inverse)
Constant
 
   Keq_FER_t
Value: 1.0   (Units: dimensionless)
Constant
 
CUR_t (2)
 
   k_CUR_t
Value: 1000.0   (Units: second inverse)
Constant
 
   Keq_CUR_t
Value: 1.0   (Units: dimensionless)
Constant
 
EX_FER (1)
 
   cfeed_fer
Value: 500.0   (Units: milli Molar)
Constant
 
Representative curation result(s)
Representative curation result(s) of BIOMD0000000565

Curator's comment: (updated: 12 Jan 2015 13:16:41 GMT)

Figure 4 of the reference paper has been reproduced here. Note that the difference in the y-axis measure is due to the difference in units. The y-axis is in mmol/L in the model, whereas it is in g/L in the paper. The model as such reproduces the Mutant_0 condition. To simulate the Mutant_1 and Mutant_2 condition, do the following.
Mutant_1 - set rmaxACCOAC = 0.4634
Mutant_2 - set rmaxACCOAC = 0.4634; rmaxPK = 0.6113150258

The model was simulated using SBML odeSolver and the plot was generated using Gnuplot.

spacer
spacer