begin name fung1 end name begin reactions RAcs {1.0}$EXTERNAL = {1.0}Acs RLacI {1.0}$EXTERNAL = {1.0}LacI RPta {1.0}$EXTERNAL = {1.0}Pta RdAcs {1.0}Acs = {1.0}$EXTERNAL RdLacI {1.0}LacI = {1.0}$EXTERNAL RdPta {1.0}Pta = {1.0}$EXTERNAL VAce {1.0}OAc = {1.0}HOAc VAck {1.0}AcP = {1.0}OAc VAcs {1.0}OAc = {1.0}AcCoA VPta {1.0}AcCoA = {1.0}AcP VTCA {1.0}AcCoA = {1.0}$EXTERNAL Vgly {1.0}$EXTERNAL = {1.0}AcCoA Vout {1.0}HOAc = {1.0}$HOAcE end reactions begin rate equations RAcs = compartment*(alpha0 + (alpha2*(AcP[t]/Kg2)^n)/(1 + (AcP[t]/Kg2)^n)) RLacI = compartment*(alpha0 + (alpha1*(AcP[t]/Kg1)^n)/(1 + (AcP[t]/Kg1)^n)) RPta = alpha0 + alpha3/(1 + (LacI[t]/Kg3)^n) RdAcs = compartment*kd*Acs[t] RdLacI = compartment*kd*LacI[t] RdPta = compartment*kd*Pta[t] VAce = C*compartment*(-(Keq*HOAc[t]) + H*OAc[t]) VAck = compartment*(kAckf*AcP[t] - kAckr*OAc[t]) VAcs = (compartment*k2*Acs[t]*OAc[t])/(KM2 + OAc[t]) VPta = (compartment*k1*AcCoA[t]*Pta[t])/(KM1 + AcCoA[t]) VTCA = compartment*kTCA*AcCoA[t] Vgly = compartment*S0 Vout = compartment*k3*(-HOAcE + HOAc[t]) end rate equations begin parameters C = 100.0 H = "1e-07" KM1 = 0.06 KM2 = 0.1 Keq = 0.0005 Kg1 = 10.0 Kg2 = 10.0 Kg3 = 0.001 S0 = 0.5 alpha0 = 0.0 alpha1 = 0.1 alpha2 = 2.0 alpha3 = 2.0 k1 = 80.0 k2 = 0.8 k3 = 0.01 kAckf = 1.0 kAckr = 1.0 kTCA = 10.0 kd = 0.06 n = 2.0 HOAcE = 0.0 compartment = 1.0 end parameters begin initial conditions AcCoA[0] = AcCoAi AcP[0] = AcPi Acs[0] = Acsi HOAc[0] = HOAci LacI[0] = LacIi OAc[0] = OAci Pta[0] = Ptai end initial conditions begin initial values AcCoAi = 0.0 AcPi = 0.0 Acsi = 0.0 HOAci = 0.0 LacIi = 0.0 OAci = 0.0 Ptai = 0.0 end initial values begin assignment rules end assignment rules begin function definitions end function definitions begin events end events begin process annotations V_Pta http://identifiers.org/ec-code/2.3.1.8 V_Pta http://identifiers.org/kegg.reaction/R00230 end process annotations begin species annotations AcCoA http://identifiers.org/obo.chebi/CHEBI:15351 AcCoA http://identifiers.org/kegg.compound/C00024 AcP http://identifiers.org/obo.chebi/CHEBI:15350 AcP http://identifiers.org/kegg.compound/C00227 Acs http://identifiers.org/uniprot/P27550 OAc http://identifiers.org/obo.chebi/CHEBI:30089 OAc http://identifiers.org/kegg.compound/C00033 Pta http://identifiers.org/uniprot/P0A9M8 end species annotations begin units end units