#curien2

FIX: AK1 AK2 AKHSDHI AKHSDHII ASADH AdoMet Asp CGS Cys Cysta DHDPS1 DHDPS2 Gly HSK IleTRNA LKR LysTRNA Phosphate Sacc TD THA ThrTRNA Val

#reactions
Vak1:
 {1.0}Asp = {1.0}AspP
  c1 * AK1 * ((AK1_kforward_app_exp - AK1_kreverse_app_exp * AspP) / (1 + pow(Lys / (AK1_Lys_Ki_app_exp / (1 + AdoMet / AK1_AdoMet_Ka_app_exp)), AK1_nH_exp)))
Vak2:
 {1.0}Asp = {1.0}AspP
  c1 * AK2 * ((AK2_kforward_app_exp - AK2_kreverse_app_exp * AspP) / (1 + pow(Lys / AK2_Lys_Ki_app_exp, AK2_nH_exp)))
VakI:
 {1.0}Asp = {1.0}AspP
  c1 * AKHSDHI * ((AKI_kforward_app_exp - AKI_kreverse_app_exp * AspP) / (1 + pow(Thr / AKI_Thr_Ki_app_exp, AKI_nH_exp)))
VakII:
 {1.0}Asp = {1.0}AspP
  c1 * AKHSDHII * ((AKII_kforward_app_exp - AKII_kreverse_app_exp * AspP) / (1 + pow(Thr / AKII_Thr_Ki_app_exp, AKII_nH_exp)))
Vasadh:
 {1.0}AspP = {1.0}ASA
  c1 * ASADH * (ASADH_kforward_app_exp * AspP - ASADH_kreverse_app_exp * ASA)
Vcgs:
 {1.0}PHser = {1.0}Cysta
  c1 * CGS * PHser * (CGS_kcat_exp / (1 + CGS_Cys_Km_exp / Cys) / (CGS_Phser_Km_exp / (1 + CGS_Cys_Km_exp / Cys) * (1 + Phosphate / CGS_Phosphate_Ki_exp) + PHser))
Vdhdps1:
 {1.0}ASA = {1.0}Lys
  c1 * DHDPS1_k_app_exp * DHDPS1 * ASA * (1 / (1 + pow(Lys / DHDPS1_Lys_Ki_app_exp, DHDPS1_nH_exp)))
Vdhdps2:
 {1.0}ASA = {1.0}Lys
  c1 * DHDPS2_k_app_exp * DHDPS2 * ASA * (1 / (1 + pow(Lys / DHDPS2_Lys_Ki_app_exp, DHDPS2_nH_exp)))
Vhsdh1:
 {1.0}ASA = {1.0}Hser
  c1 * HSDHI_kforward_app_exp * AKHSDHI * ASA * (HSDHI_Thr_relative_residual_activity_app_exp + HSDHI_Thr_relative_inhibition_app_exp / (1 + Thr / HSDHI_Thr_Ki_app_exp))
Vhsdh2:
 {1.0}ASA = {1.0}Hser
  c1 * HSDHII_kforward_app_exp * AKHSDHII * ASA * (HSDHII_Thr_relative_residual_activity_app_exp + HSDHII_Thr_relative_inhibition_app_exp / (1 + Thr / HSDHII_Thr_Ki_app_exp))
Vhsk:
 {1.0}Hser = {1.0}PHser
  c1 * HSK_kcat_app_exp * HSK * Hser / (HSK_Hser_app_exp + Hser)
VileTRNA:
 {1.0}Ile = {1.0}IleTRNA
  c1 * V_Ile_RS * Ile / (Ile_tRNAS_Ile_Km + Ile)
VlysKR:
 {1.0}Lys = {1.0}Sacc
  c1 * LKR_kcat_exp * LKR * Lys / (LKR_Lys_Km_exp + Lys)
VlysTRNA:
 {1.0}Lys = {1.0}LysTRNA
  c1 * V_Lys_RS * Lys / (Lys_tRNAS_Lys_Km + Lys)
Vtd:
 {1.0}Thr = {1.0}Ile
  c1 * TD * Thr * (TD_k_app_exp / (1 + pow(Ile / (TD_Ile_Ki_no_Val_app_exp + TD_Val_Ka1_app_exp * Val / (TD_Val_Ka2_app_exp + Val)), TD_nH_app_exp)))
Vtha:
 {1.0}Thr = {1.0}Gly
  c1 * THA_kcat_exp * THA * Thr / (THA_Thr_Km_exp + Thr)
VthrTRNA:
 {1.0}Thr = {1.0}ThrTRNA
  c1 * V_Thr_RS * Thr / (Thr_tRNAS_Thr_Km + Thr)
Vts1:
 {1.0}PHser = {1.0}Thr
  c1 * TS1 * PHser * ((TS1_kcatmin_exp + TS1_AdoMet_kcatmax_exp * (pow(AdoMet, TS1_nH_exp) / TS1_AdoMet_Ka1_exp)) / (1 + pow(AdoMet, TS1_nH_exp) / TS1_AdoMet_Ka1_exp) / (TS1_AdoMEt_Km_no_AdoMet_exp * ((1 + AdoMet / TS1_AdoMet_Ka2_exp) / (1 + AdoMet / TS1_AdoMet_Ka3_exp) / (1 + pow(AdoMet, TS1_nH_exp) / TS1_AdoMet_Ka4_exp)) * (1 + Phosphate / TS1_Phosphate_Ki_exp) + PHser))


#parameters
V_AA_RS = 0.43
AK1 = 0.25
AK2 = 0.25
AKHSDHI = 0.63
AKHSDHII = 0.63
ASADH = 11.6
AdoMet = 20.0
Asp = 1500.0
CGS = 0.7
Cys = 15.0
Cysta = 0.0
DHDPS1 = 1.6
DHDPS2 = 1.6
Gly = 0.0
HSK = 4.0
IleTRNA = 0.0
LKR = 0.0
LysTRNA = 0.0
Phosphate = 10000.0
Sacc = 0.0
TD = 0.36
THA = 0.0
ThrTRNA = 0.0
Val = 100.0
Vak1_AK1_kforward_app_exp = 5.65
Vak1_AK1_kreverse_app_exp = 1.6
Vak1_AK1_Lys_Ki_app_exp = 550.0
Vak1_AK1_AdoMet_Ka_app_exp = 3.5
Vak1_AK1_nH_exp = 2.0
Vak2_AK2_kforward_app_exp = 3.15
Vak2_AK2_kreverse_app_exp = 0.86
Vak2_AK2_Lys_Ki_app_exp = 22.0
Vak2_AK2_nH_exp = 1.1
VakI_AKI_kforward_app_exp = 0.36
VakI_AKI_kreverse_app_exp = 0.15
VakI_AKI_Thr_Ki_app_exp = 124.0
VakI_AKI_nH_exp = 2.0
VakII_AKII_kforward_app_exp = 1.35
VakII_AKII_kreverse_app_exp = 0.22
VakII_AKII_Thr_Ki_app_exp = 109.0
VakII_AKII_nH_exp = 2.0
Vasadh_ASADH_kforward_app_exp = 0.9
Vasadh_ASADH_kreverse_app_exp = 0.23
Vdhdps1_DHDPS1_k_app_exp = 1.0
Vdhdps1_DHDPS1_Lys_Ki_app_exp = 10.0
Vdhdps1_DHDPS1_nH_exp = 2.0
Vdhdps2_DHDPS2_k_app_exp = 1.0
Vdhdps2_DHDPS2_Lys_Ki_app_exp = 33.0
Vdhdps2_DHDPS2_nH_exp = 2.0
Vhsdh1_HSDHI_kforward_app_exp = 0.84
Vhsdh1_HSDHI_Thr_relative_residual_activity_app_exp = 0.14
Vhsdh1_HSDHI_Thr_relative_inhibition_app_exp = 0.86
Vhsdh1_HSDHI_Thr_Ki_app_exp = 400.0
Vhsdh2_HSDHII_kforward_app_exp = 0.64
Vhsdh2_HSDHII_Thr_relative_residual_activity_app_exp = 0.25
Vhsdh2_HSDHII_Thr_relative_inhibition_app_exp = 0.75
Vhsdh2_HSDHII_Thr_Ki_app_exp = 8500.0
Vhsk_HSK_kcat_app_exp = 2.8
Vhsk_HSK_Hser_app_exp = 14.0
Vts1_TS1_kcatmin_exp = 0.42
Vts1_TS1_AdoMet_kcatmax_exp = 3.5
Vts1_TS1_AdoMet_Ka1_exp = 73.0
Vts1_TS1_nH_exp = 2.0
Vts1_TS1_Phosphate_Ki_exp = 1000.0
Vts1_TS1_AdoMEt_Km_no_AdoMet_exp = 250.0
Vts1_TS1_AdoMet_Ka2_exp = 0.5
Vts1_TS1_AdoMet_Ka3_exp = 1.09
Vts1_TS1_AdoMet_Ka4_exp = 140.0
Vcgs_CGS_kcat_exp = 30.0
Vcgs_CGS_Cys_Km_exp = 460.0
Vcgs_CGS_Phser_Km_exp = 2500.0
Vcgs_CGS_Phosphate_Ki_exp = 2000.0
Vtd_TD_k_app_exp = 0.0124
Vtd_TD_Ile_Ki_no_Val_app_exp = 30.0
Vtd_TD_Val_Ka1_app_exp = 73.0
Vtd_TD_Val_Ka2_app_exp = 615.0
Vtd_TD_nH_app_exp = 3.0
VlysTRNA_Lys_tRNAS_Lys_Km = 25.0
VthrTRNA_Thr_tRNAS_Thr_Km = 100.0
VileTRNA_Ile_tRNAS_Ile_Km = 20.0
VlysKR_LKR_kcat_exp = 3.1
VlysKR_LKR_Lys_Km_exp = 13000.0
Vtha_THA_kcat_exp = 1.7
Vtha_THA_Thr_Km_exp = 7100.0
c1 = 1.0


#initial values
ASA = 0.0
AspP = 0.0
Hser = 0.0
Ile = 0.0
Lys = 0.0
PHser = 0.0
TS1 = 7.4
Thr = 0.0


#assignment rules
!F V_Ile_RS = V_AA_RS
!F V_Thr_RS = V_AA_RS
!F V_Lys_RS = V_AA_RS