begin name nazaret1 end name begin reactions v1 {1.0}$EXTERNAL = {1.0}Pyr v2 {1.0}Pyr + {1.0}NAD = {1.0}AcCoA v3 {1.0}OAA + {1.0}AcCoA = {1.0}Cit v4 {1.0}Cit + {1.0}NAD = {1.0}KG v5 {1.0}KG + {2.0}NAD = {1.0}OAA + {1.0}ATP v6 {1.0}OAA = {1.0}KG v7 {1.0}Pyr + {1.0}ATP = {1.0}OAA v8 {1.0}OAA = {1.0}$EXTERNAL vANT {1.0}ATP = {1.0}$EXTERNAL vATP {1.0}$iP + {3.0}$He = {1.0}ATP + {1.0}$H2O + {3.0}$H vleak {1.0}$He = {1.0}$H vresp {0.5}$O2 + {11.0}$H = {1.0}NAD + {1.0}$H2O + {10.0}$He end reactions begin rate equations v1 = mitochondrion*v1k1 v2 = mitochondrion*v2k2*NAD[t]*Pyr[t] v3 = mitochondrion*v3k3*AcCoA[t]*OAA[t] v4 = mitochondrion*v4k4*Cit[t]*NAD[t] v5 = mitochondrion*v5k5*(At - ATP[t])*KG[t]*NAD[t] v6 = mitochondrion*v6k6*(-(KG[t]/v6Keq) + OAA[t]) v7 = mitochondrion*v7k7*ATP[t]*Pyr[t] v8 = mitochondrion*v8k8*OAA[t] vANT = JANT*mitochondrion vATP = JATP*mitochondrion vleak = Jleak*mitochondrion vresp = Jresp*mitochondrion end rate equations begin parameters At = 4.16 C = "6.75e-06" DeltaPsim = 150.0 F = 96485.0 K = 2.0 Kapp = "4.4e-09" Nt = 1.07 R = 8314.0 T = 298.0 a = 0.1 b = 0.004 kANT = 0.05387 kATP = 131.9 kleak = 0.000426 kresp = 2.5 H = 1.0 H2O = 1.0 He = 1.0 O2 = 1.0 iP = 2.44 v1k1 = 0.038 v2k2 = 0.152 v3k3 = 57.142 v4k4 = 0.053 v5k5 = 0.082361 v6k6 = 0.0032 v6Keq = 0.3975 v7k7 = 0.04 v8k8 = 3.6 cytoplasm = 1.0 mitochondrion = 1.0 end parameters begin initial conditions ATP[0] = ATPi AcCoA[0] = AcCoAi Cit[0] = Citi KG[0] = KGi NAD[0] = NADi OAA[0] = OAAi Pyr[0] = Pyri DeltaPsi[0] = DeltaPsii end initial conditions begin initial values ATPi = 3.536 AcCoAi = 0.063 Citi = 0.44 KGi = 0.225 NADi = 0.856 OAAi = 0.005 Pyri = 0.154 DeltaPsii = 150 end initial values begin assignment rules NADH := Nt - NAD[t] ADP := At - ATP[t] DeltaGtransport := 1.2*F*DeltaPsi[t] ATPcrit := At/(1 + 1/(E^((3*DeltaGtransport)/(R*T))*iP*Kapp)) JATP := (-1 + 2/(1 + E^(b*(-ATPcrit + ATP[t]))))*kATP Jresp := (kresp*(Nt - NAD[t]))/((1 + E^(a*(-DeltaPsim + DeltaPsi[t])))*(K + Nt - NAD[t])) Jleak := kleak*DeltaPsi[t] JANT := kANT*ATP[t] end assignment rules begin function definitions end function definitions begin events end events begin process annotations end process annotations begin species annotations end species annotations begin units end units