begin name kerkhovenA end name begin reactions AKc {2.0}ADPc = {1.0}AMPc + {1.0}ATPc AKg {2.0}ADPg = {1.0}AMPg + {1.0}ATPg ALDg {1.0}Fru16BPg = {1.0}GA3Pg + {1.0}DHAPg ATPuc {1.0}ATPc = {1.0}ADPc ENOc {1.0}2PGAc = {1.0}PEPc G3PDHg {1.0}NADHg + {1.0}DHAPg = {1.0}Gly3Pg + {1.0}NADg GAPDHg {1.0}GA3Pg + {1.0}NADg + {1.0}$Pig = {1.0}NADHg + {1.0}13BPGAg GDAg {1.0}Gly3Pg + {1.0}DHAPc = {1.0}Gly3Pc + {1.0}DHAPg GKg {1.0}Gly3Pg + {1.0}ADPg = {1.0}$Glye + {1.0}ATPg GPOc {1.0}Gly3Pc = {1.0}DHAPc GlcTc {1.0}$Glce = {1.0}Glcc GlcTg {1.0}Glcc = {1.0}Glcg HXKg {1.0}ATPg + {1.0}Glcg = {1.0}Glc6Pg + {1.0}ADPg PFKg {1.0}ATPg + {1.0}Fru6Pg = {1.0}Fru16BPg + {1.0}ADPg PGAMc {1.0}3PGAc = {1.0}2PGAc PGIg {1.0}Glc6Pg = {1.0}Fru6Pg PGKg {1.0}13BPGAg + {1.0}ADPg = {1.0}3PGAg + {1.0}ATPg PYKc {1.0}PEPc + {1.0}ADPc = {1.0}Pyrc + {1.0}ATPc PyrTc {1.0}Pyrc = {1.0}$Pyre TPIg {1.0}DHAPg = {1.0}GA3Pg 3PGATg {1.0}3PGAg = {1.0}3PGAc end reactions begin rate equations AKc = vAK[ADPc[t], AMPc[t], ATPc[t], AKcAKck1, AKcAKck2] AKg = vAK[ADPg[t], AMPg[t], ATPg[t], AKgAKgk1, AKgAKgk2] ALDg = (ALDgALDgVmax*Fru16BPg[t]*(1 - (DHAPg[t]*GA3Pg[t])/(ALDgALDgKeq*Fru16BPg[t])))/(ALDgALDgKmFru16BP*(1 + ADPg[t]/ALDgALDgKiADP + AMPg[t]/ALDgALDgKiAMP + ATPg[t]/ALDgALDgKiATP)*(1 + DHAPg[t]/ALDgALDgKmDHAP + Fru16BPg[t]/(ALDgALDgKmFru16BP*(1 + ADPg[t]/ALDgALDgKiADP + AMPg[t]/ALDgALDgKiAMP + ATPg[t]/ALDgALDgKiATP)) + GA3Pg[t]/ALDgALDgKmGA3P + (DHAPg[t]*GA3Pg[t])/(ALDgALDgKmDHAP*ALDgALDgKmGA3P) + (Fru16BPg[t]*GA3Pg[t])/(ALDgALDgKiGA3P*ALDgALDgKmFru16BP*(1 + ADPg[t]/ALDgALDgKiADP + AMPg[t]/ALDgALDgKiAMP + ATPg[t]/ALDgALDgKiATP)))) ATPuc = (ATPucATPuck*ATPc[t])/ADPc[t] ENOc = v1sub1prod[ENOcENOcVmax, ENOcENOcKeq, 2PGAc[t], ENOcENOcKm2PGA, PEPc[t], ENOcENOcKmPEP] G3PDHg = v2sub2prod[G3PDHgG3PDHgVmax, G3PDHgG3PDHgKeq, DHAPg[t], G3PDHgG3PDHgKmDHAP, NADHg[t], G3PDHgG3PDHgKmNADH, Gly3Pg[t], G3PDHgG3PDHgKmGly3P, NADg[t], G3PDHgG3PDHgKmNAD] GAPDHg = v2sub2prod[GAPDHgGAPDHgVmax, GAPDHgGAPDHgKeq, GA3Pg[t], GAPDHgGAPDHgKmGA3P, NADg[t], GAPDHgGAPDHgKmNAD, 13BPGAg[t], GAPDHgGAPDHgKm13BPGA, NADHg[t], GAPDHgGAPDHgKmNADH] GDAg = -(GDAgGDAgk*DHAPg[t]*Gly3Pc[t]) + GDAgGDAgk*DHAPc[t]*Gly3Pg[t] GKg = v2sub2prod[GKgGKgVmax, GKgGKgKeq, Gly3Pg[t], GKgGKgKmGly3P, ADPg[t], GKgGKgKmADP, Glye, GKgGKgKmGly, ATPg[t], GKgGKgKmATP] GPOc = v1sub[GPOcGPOcVmax, Gly3Pc[t], GPOcGPOcKmGly3P] GlcTc = (GlcTcGlcTcVmax*(Glce - Glcc[t]))/(GlcTcGlcTcKmGlc + Glce + Glcc[t] + (GlcTcGlcTcalpha*Glce*Glcc[t])/GlcTcGlcTcKmGlc) GlcTg = massactionrev[GlcTgGlcTgk1, Glcc[t], GlcTgGlcTgk2, Glcg[t]] HXKg = v2sub2prod[HXKgHXKgVmax, HXKgHXKgKeq, Glcg[t], HXKgHXKgKmGlc, ATPg[t], HXKgHXKgKmATP, Glc6Pg[t], HXKgHXKgKmGlc6P, ADPg[t], HXKgHXKgKmADP] PFKg = (PFKgPFKgKi1*PFKgPFKgVmax*ATPg[t]*(1 - (ADPg[t]*Fru16BPg[t])/(PFKgPFKgKeq*ATPg[t]*Fru6Pg[t]))*Fru6Pg[t])/(PFKgPFKgKmATP*PFKgPFKgKmFru6P*(PFKgPFKgKi1 + Fru16BPg[t])*(PFKgPFKgKsATP/PFKgPFKgKmATP + ADPg[t]/PFKgPFKgKmADP + ATPg[t]/PFKgPFKgKmATP + (ADPg[t]*Fru16BPg[t])/(PFKgPFKgKi2*PFKgPFKgKmADP) + Fru6Pg[t]/PFKgPFKgKmFru6P + (ATPg[t]*Fru6Pg[t])/(PFKgPFKgKmATP*PFKgPFKgKmFru6P))) PGAMc = v1sub1prod[PGAMcPGAMcVmax, PGAMcPGAMcKeq, 3PGAc[t], PGAMcPGAMcKm3PGA, 2PGAc[t], PGAMcPGAMcKm2PGA] PGIg = (PGIgPGIgVmax*(1 - Fru6Pg[t]/(PGIgPGIgKeq*Glc6Pg[t]))*Glc6Pg[t])/(PGIgPGIgKmGlc6P*(1 + PGIg6PGg/PGIgPGIgKi6PG + Fru6Pg[t]/PGIgPGIgKmFru6P + Glc6Pg[t]/PGIgPGIgKmGlc6P)) PGKg = v2sub2prod[PGKgPGKgVmax, PGKgPGKgKeq, 13BPGAg[t], PGKgPGKgKm13BPGA, ADPg[t], PGKgPGKgKmADP, 3PGAg[t], PGKgPGKgKm3PGA, ATPg[t], PGKgPGKgKmATP] PYKc = (PYKcPYKcVmax*ADPc[t]*(PEPc[t]/(PYKcPYKcKmPEP*(1 + ADPc[t]/PYKcPYKcKiADP + ATPc[t]/PYKcPYKcKiATP)))^PYKcPYKcn*(1 - (ATPc[t]*Pyrc[t])/(PYKcPYKcKeq*ADPc[t]*PEPc[t])))/(PYKcPYKcKmADP*(1 + ADPc[t]/PYKcPYKcKmADP + ATPc[t]/PYKcPYKcKmATP)*(1 + (PEPc[t]/(PYKcPYKcKmPEP*(1 + ADPc[t]/PYKcPYKcKiADP + ATPc[t]/PYKcPYKcKiATP)))^PYKcPYKcn + Pyrc[t]/PYKcPYKcKmPyr)) PyrTc = v1sub[PyrTcPyrTcVmax, Pyrc[t], PyrTcPyrTcKmPyr] TPIg = v1sub1prod[TPIgTPIgVmax, TPIgTPIgKeq, DHAPg[t], TPIgTPIgKmDHAP, GA3Pg[t], TPIgTPIgKmGA3P] 3PGATg = massactionrev[3PGATg3PGATgk, 3PGAg[t], 3PGATg3PGATgk, 3PGAc[t]] end rate equations begin parameters Glce = 5.0 Glye = 0.0 Pig = 0.0 Pyre = 0.0 TPIgTPIgVmax = 999.3 TPIgTPIgKeq = 0.046 TPIgTPIgKmDHAP = 1.2 TPIgTPIgKmGA3P = 0.25 PYKcPYKcVmax = 1020.0 PYKcPYKcKmPEP = 0.34 PYKcPYKcKiATP = 0.57 PYKcPYKcKiADP = 0.64 PYKcPYKcn = 2.5 PYKcPYKcKmADP = 0.114 PYKcPYKcKeq = 10800.0 PYKcPYKcKmPyr = 50.0 PYKcPYKcKmATP = 15.0 PFKgPFKgVmax = 1708.0 PFKgPFKgKi1 = 15.8 PFKgPFKgKmFru6P = 0.999 PFKgPFKgKmATP = 0.0648 PFKgPFKgKeq = 1035.0 PFKgPFKgKsATP = 0.0393 PFKgPFKgKmADP = 1.0 PFKgPFKgKi2 = 10.7 GlcTgGlcTgk1 = 250000.0 GlcTgGlcTgk2 = 250000.0 PGAMcPGAMcVmax = 225.0 PGAMcPGAMcKeq = 0.17 PGAMcPGAMcKm3PGA = 0.15 PGAMcPGAMcKm2PGA = 0.16 PyrTcPyrTcVmax = 230.0 PyrTcPyrTcKmPyr = 1.96 GlcTcGlcTcVmax = 111.7 GlcTcGlcTcKmGlc = 1.0 GlcTcGlcTcalpha = 0.75 ALDgALDgVmax = 560.0 ALDgALDgKmFru16BP = 0.009 ALDgALDgKiATP = 0.68 ALDgALDgKiADP = 1.51 ALDgALDgKiAMP = 3.65 ALDgALDgKeq = 0.084 ALDgALDgKmGA3P = 0.067 ALDgALDgKmDHAP = 0.015 ALDgALDgKiGA3P = 0.098 ENOcENOcVmax = 598.0 ENOcENOcKeq = 4.17 ENOcENOcKm2PGA = 0.054 ENOcENOcKmPEP = 0.24 HXKgHXKgVmax = 1774.68 HXKgHXKgKeq = 759.0 HXKgHXKgKmGlc = 0.1 HXKgHXKgKmATP = 0.116 HXKgHXKgKmGlc6P = 12.0 HXKgHXKgKmADP = 0.126 3PGATg3PGATgk = 250.0 PGKgPGKgVmax = 2862.0 PGKgPGKgKeq = 3377.0 PGKgPGKgKm13BPGA = 0.003 PGKgPGKgKmADP = 0.1 PGKgPGKgKm3PGA = 1.62 PGKgPGKgKmATP = 0.29 G3PDHgG3PDHgVmax = 465.0 G3PDHgG3PDHgKeq = 17085.0 G3PDHgG3PDHgKmDHAP = 0.1 G3PDHgG3PDHgKmNADH = 0.01 G3PDHgG3PDHgKmGly3P = 2.0 G3PDHgG3PDHgKmNAD = 0.4 GPOcGPOcVmax = 368.0 GPOcGPOcKmGly3P = 1.7 ATPucATPuck = 50.0 GKgGKgVmax = 200.0 GKgGKgKeq = 0.000837 GKgGKgKmGly3P = 3.83 GKgGKgKmADP = 0.56 GKgGKgKmGly = 0.44 GKgGKgKmATP = 0.24 AKcAKck1 = 480.0 AKcAKck2 = 1000.0 PGIgPGIgVmax = 1305.0 PGIgPGIgKmGlc6P = 0.4 PGIgPGIgKeq = 0.457 PGIgPGIgKmFru6P = 0.12 PGIg6PGg = 0.0841958 PGIgPGIgKi6PG = 0.14 GAPDHgGAPDHgVmax = 720.9 GAPDHgGAPDHgKeq = 0.066 GAPDHgGAPDHgKmGA3P = 0.15 GAPDHgGAPDHgKmNAD = 0.45 GAPDHgGAPDHgKm13BPGA = 0.1 GAPDHgGAPDHgKmNADH = 0.02 AKgAKgk1 = 480.0 AKgAKgk2 = 1000.0 GDAgGDAgk = 600.0 cytosol = 5.4549 default = 1.0 glycosome = 0.2451 end parameters begin initial conditions ADPc[0] = ADPci ADPg[0] = ADPgi AMPc[0] = AMPci AMPg[0] = AMPgi ATPc[0] = ATPci ATPg[0] = ATPgi DHAPc[0] = DHAPci DHAPg[0] = DHAPgi Fru16BPg[0] = Fru16BPgi Fru6Pg[0] = Fru6Pgi GA3Pg[0] = GA3Pgi Glc6Pg[0] = Glc6Pgi Glcc[0] = Glcci Glcg[0] = Glcgi Gly3Pc[0] = Gly3Pci Gly3Pg[0] = Gly3Pgi NADHg[0] = NADHgi NADg[0] = NADgi PEPc[0] = PEPci Pyrc[0] = Pyrci 13BPGAg[0] = 13BPGAgi 2PGAc[0] = 2PGAci 3PGAc[0] = 3PGAci 3PGAg[0] = 3PGAgi end initial conditions begin initial values ADPci = 1.3165 ADPgi = 1.519 AMPci = 2.2418 AMPgi = 4.2405 ATPci = 0.3417 ATPgi = 0.2405 DHAPci = 2.23132912 DHAPgi = 8.483130623 Fru16BPgi = 10.0 Fru6Pgi = 0.5 GA3Pgi = 2.5 Glc6Pgi = 0.5 Glcci = 0.1 Glcgi = 0.1 Gly3Pci = 2.76867088 Gly3Pgi = 10.51686938 NADHgi = 2.0 NADgi = 2.0 PEPci = 1.0 Pyrci = 10.0 13BPGAgi = 0.5 2PGAci = 0.1 3PGAci = 0.1 3PGAgi = 0.1 end initial values begin assignment rules end assignment rules begin function definitions massactionrev[k1_,S_,k2_,P_] := -(k2*P) + k1*S massactionirrev[k_,S_] := k*S vAK[ADP_,AMP_,ATP_,k1_,k2_] := ADP^2*k1 - AMP*ATP*k2 v2sub2prod[Vfmax_,Keq_,S1_,Ks1_,S2_,Ks2_,P1_,Kp1_,P2_,Kp2_] := (S1*(1 - (P1*P2)/(Keq*S1*S2))*S2*Vfmax)/(Ks1*Ks2*(1 + P1/Kp1 + S1/Ks1)*(1 + P2/Kp2 + S2/Ks2)) v1sub1prod[Vfmax_,Keq_,S_,Ks_,P_,Kp_] := ((1 - P/(Keq*S))*S*Vfmax)/(Ks*(1 + P/Kp + S/Ks)) v1sub[Vfmax_,S_,Ks_] := (S*Vfmax)/(Ks*(1 + S/Ks)) v2sub2prodcompinhib[Vfmax_,Keq_,S1_,Ks1_,S2_,Ks2_,P1_,Kp1_,P2_,Kp2_,I1_,Ki1_,I2_,Ki2_] := (S1*(1 - (P1*P2)/(Keq*S1*S2))*S2*Vfmax)/(Ks1*Ks2*(1 + P1/Kp1 + S1/Ks1)*(1 + I1/Ki1 + I2/Ki2 + P2/Kp2 + S2/Ks2)) end function definitions begin events end events begin process annotations end process annotations begin species annotations end species annotations begin units end units