The Saadat 2021 model builds upon previous models, particularly the Matuszynska2019 model, by incorporating and modifying various reactions and aspects of photosynthesis. Overall, the model can be divided into three modules: the ascorbate-glutathione cycle, the Calvin-Benson-Bassham (CBB) cycle and thioredoxin reductase-regulated reactions, and the photosynthetic electron transport chain (PETC).
The model is primarily used to investigate the electron flows around PSI and their relevance to photosynthetic efficiency. Several different analyses have been conducted to validate the model in both steady-state and dynamic environment conditions. The most interesting is the direct comparison of a knockout mutant of the protein PGR5. This protein is known to catalyse the reduction of plastoquinone by ferredoxin. The results of this comparison align with experimental values, which are, however, not presented in the publication but are referenced. Additionally, it is noted that the results should not be interpreted as accurate quantitative data, but rather as a proof of concept for the model.
Overall, the model has one advantage over other photosynthesis models, as it also highlights the importance of other electron flows, not just the PETC. Additionally, not only are the authors open about the model's flaws, but they are also insistent on making their code and analyses available on GitHub. Therefore, this model serves as a good stepping stone for more complex models that aim to incorporate aspects of photosynthesis, which are often simplified in other models.
| Symbol | ID | Initial value |
|---|---|---|
| _3PGA | 0.9167729479368978 | |
| BPGA | 0.0003814495319659031 | |
| GAP | 0.00580821050261484 | |
| DHAP | 0.1277806166216142 | |
| FBP | 0.005269452472931973 | |
| F6P | 0.2874944558066638 | |
| G6P | 0.6612372482712676 | |
| G1P | 0.03835176039761378 | |
| SBP | 0.011101373736607443 | |
| S7P | 0.1494578301900007 | |
| E4P | 0.00668295494870102 | |
| X5P | 0.020988553174809618 | |
| R5P | 0.035155825913785584 | |
| RUBP | 0.11293260727162346 | |
| RU5P | 0.014062330254191594 | |
| atp | 1.4612747767895344 | |
| fd_ox | 3.715702384326767 | |
| protons_lumen | 0.002086128887296243 | |
| lhc | 0.7805901436176024 | |
| nadph | 0.5578718406315588 | |
| pc_ox | 1.8083642974980014 | |
| pq_ox | 10.251099271612473 | |
| psbs_de | 0.9667381262477079 | |
| vx | 0.9629870646993118 | |
| MDA | 2.0353396709300447e-7 | |
| H2O2 | 1.2034405327140102e-7 | |
| DHA | 1.0296456279861962e-11 | |
| GSSG | 4.99986167652437e-12 | |
| tr_ox | 0.9334426859846461 | |
| E_inactive | 3.6023635680406634 |
| Symbol | ID | Value |
|---|---|---|
| PPFD | 100 | |
| CO2__dissolved_ | 0.2 | |
| O2_lumen | 8 | |
| pH | 7.9 | |
| protons | 0.000012589254117941661 | |
| bH | 100 | |
| F | 96.485 | |
| E_0_PC | 0.38 | |
| E_0_P700 | 0.48 | |
| E_0_FA | -0.55 | |
| E_0_Fd | -0.43 | |
| E_0_NADP | -0.113 | |
| convf | 0.032 | |
| R | 0.0083 | |
| T | 298 | |
| Carotenoids_tot | 1 | |
| Fd_ | 5 | |
| PC_tot | 4 | |
| PSBS_tot | 1 | |
| LHC_tot | 1 | |
| gamma0 | 0.1 | |
| gamma1 | 0.25 | |
| gamma2 | 0.6 | |
| gamma3 | 0.15 | |
| kZSat | 0.12 | |
| E_0_QA | -0.14 | |
| E_0_PQ | 0.354 | |
| PQ_tot | 17.5 | |
| staticAntII | 0.1 | |
| staticAntI | 0.37 | |
| Thioredoxin_tot | 1 | |
| E_total | 6 | |
| NADP_ | 0.8 | |
| A_P | 2.55 | |
| Pi_tot | 17.05 | |
| kf_ferredoxin_thioredoxin_reductase | 1 | |
| kf_tr_activation | 1 | |
| kf_tr_inactivation | 0.1 | |
| ASC_tot_ | 10 | |
| Glutathion_tot | 10 | |
| kf_atp_synthase | 20 | |
| HPR | 4.666666666666667 | |
| Pi_mol | 0.01 | |
| DeltaG0_ATP | 30.6 | |
| kcat_b6f | 2.5 | |
| kh_lhc_protonation | 3 | |
| kf_lhc_protonation | 0.0096 | |
| ksat_lhc_protonation | 5.8 | |
| kf_lhc_deprotonation | 0.0096 | |
| kf_cyclic_electron_flow | 1 | |
| kf_violaxanthin_deepoxidase | 0.0024 | |
| kh_violaxanthin_deepoxidase | 5 | |
| ksat_violaxanthin_deepoxidase | 5.8 | |
| kf_zeaxanthin_epoxidase | 0.00024 | |
| km_fnr_fd_red | 1.56 | |
| km_fnr_nadp | 0.22 | |
| E0_fnr | 3 | |
| kcat_fnr | 500 | |
| kf_ndh | 0.002 | |
| PSII_total | 2.5 | |
| PSI_total | 2.5 | |
| kH0 | 500000000 | |
| kPQred | 250 | |
| kPCox | 2500 | |
| kFdred | 250000 | |
| k2 | 5000000000 | |
| kH | 5000000000 | |
| kF | 625000000 | |
| kMehler | 1 | |
| E0_ferredoxin_reductase | 1 | |
| kcat_ferredoxin_reductase | 250000 | |
| kf_proton_leak | 10 | |
| kPTOX | 0.01 | |
| kStt7 | 0.0035 | |
| km_lhc_state_transition_12 | 0.2 | |
| n_ST | 2 | |
| kPph1 | 0.0013 | |
| E0_rubisco | 1 | |
| kcat_rubisco_carboxylase | 2.72 | |
| km_rubisco_carboxylase_RUBP | 0.02 | |
| km_rubisco_carboxylase_CO2__dissolved_ | 0.0107 | |
| ki_rubisco_carboxylase_3PGA | 0.04 | |
| ki_rubisco_carboxylase_FBP | 0.04 | |
| ki_rubisco_carboxylase_SBP | 0.075 | |
| ki_rubisco_carboxylase_pi | 0.9 | |
| ki_rubisco_carboxylase_nadph | 0.07 | |
| kre_phosphoglycerate_kinase | 800000000 | |
| keq_phosphoglycerate_kinase | 0.00031 | |
| kre_gadph | 800000000 | |
| keq_gadph | 16000000 | |
| kre_triose_phosphate_isomerase | 800000000 | |
| keq_triose_phosphate_isomerase | 22 | |
| kre_aldolase_dhap_gap | 800000000 | |
| keq_aldolase_dhap_gap | 7.1 | |
| kre_aldolase_dhap_e4p | 800000000 | |
| keq_aldolase_dhap_e4p | 13 | |
| E0_fbpase | 1 | |
| kcat_fbpase | 1.6 | |
| km_fbpase_s | 0.03 | |
| ki_fbpase_F6P | 0.7 | |
| ki_fbpase_pi | 12 | |
| kre_transketolase_gap_f6p | 800000000 | |
| keq_transketolase_gap_f6p | 0.084 | |
| kre_transketolase_gap_s7p | 800000000 | |
| keq_transketolase_gap_s7p | 0.85 | |
| E0_SBPase | 1 | |
| kcat_SBPase | 0.32 | |
| km_SBPase_s | 0.013 | |
| ki_SBPase_pi | 12 | |
| kre_ribose_phosphate_isomerase | 800000000 | |
| keq_ribose_phosphate_isomerase | 0.4 | |
| kre_ribulose_phosphate_epimerase | 800000000 | |
| keq_ribulose_phosphate_epimerase | 0.67 | |
| E0_phosphoribulokinase | 1 | |
| kcat_phosphoribulokinase | 7.9992 | |
| km_phosphoribulokinase_RU5P | 0.05 | |
| km_phosphoribulokinase_atp | 0.05 | |
| ki_phosphoribulokinase_3PGA | 2 | |
| ki_phosphoribulokinase_RUBP | 0.7 | |
| ki_phosphoribulokinase_pi | 4 | |
| ki_phosphoribulokinase_4 | 2.5 | |
| ki_phosphoribulokinase_5 | 0.4 | |
| kre_g6pi | 800000000 | |
| keq_g6pi | 2.3 | |
| kre_phosphoglucomutase | 800000000 | |
| keq_phosphoglucomutase | 0.058 | |
| pi_ext | 0.5 | |
| km_ex_pga | 0.25 | |
| km_ex_gap | 0.075 | |
| km_ex_dhap | 0.077 | |
| km_N_translocator_pi_ext | 0.74 | |
| km_N_translocator_pi | 0.63 | |
| kcat_N_translocator | 2 | |
| E0_N_translocator | 1 | |
| E0_ex_g1p | 1 | |
| km_ex_g1p_G1P | 0.08 | |
| km_ex_g1p_atp | 0.08 | |
| ki_ex_g1p | 10 | |
| ki_ex_g1p_3PGA | 0.1 | |
| ki_ex_g1p_F6P | 0.02 | |
| ki_ex_g1p_FBP | 0.02 | |
| kcat_ex_g1p | 0.32 | |
| kf_mda_reductase_1 | 500 | |
| E0_mda_reductase_2 | 0.002 | |
| kcat_mda_reductase_2 | 300 | |
| km_mda_reductase_2_nadph | 0.023 | |
| km_mda_reductase_2_MDA | 0.0014 | |
| kf1 | 10000 | |
| kr1 | 220 | |
| kf2 | 10000 | |
| kr2 | 4000 | |
| kf3 | 2510 | |
| kf4 | 10000 | |
| kr4 | 4000 | |
| kf5 | 2510 | |
| XT | 0.07 | |
| E0_glutathion_reductase | 0.0014 | |
| kcat_glutathion_reductase | 595 | |
| km_glutathion_reductase_nadph | 0.003 | |
| km_glutathion_reductase_GSSG | 0.2 | |
| km_dehydroascorbate_reductase_DHA | 0.07 | |
| km_dehydroascorbate_reductase_GSH | 2.5 | |
| K | 0.5 | |
| E0_dehydroascorbate_reductase | 0.0017 | |
| kcat_dehydroascorbate_reductase | 142 | |
| kf_ex_atp | 0.2 | |
| kf_ex_nadph | 0.2 |
| Symbol | ID | Equation |
|---|---|---|
| RT | ||
| dG_pH | ||
| pH_lumen | ||
| zx | ||
| fd_red | ||
| pc_red | ||
| psbs_pr | ||
| lhc_prot | ||
| Q | ||
| keq_pq_red | ||
| pq_red | ||
| PSII_cross_section | ||
| tr_red | ||
| E_active | ||
| nadp | ||
| adp | ||
| pi | ||
| ascorbate | ||
| GSH | ||
| keq_atp_synthase | ||
| keq_b6f | ||
| keq_fnr | ||
| vmax_fnr | ||
| keq_PCP700 | ||
| keq_ferredoxin_reductase | ||
| vmax_ferredoxin_reductase | ||
| E0_rubisco_active | ||
| vmax_rubisco_carboxylase | ||
| E0_fbpase_active | ||
| vmax_fbpase | ||
| E0_SBPase_active | ||
| vmax_SBPase | ||
| E0_phosphoribulokinase_active | ||
| vmax_phosphoribulokinase | ||
| vmax_ex_pga | ||
| N_translocator | ||
| E0_ex_g1p_active | ||
| vmax_ex_g1p | ||
| vmax_mda_reductase_2 | ||
| vmax_glutathion_reductase | ||
| vmax_dehydroascorbate_reductase | ||
| B0 | ||
| B1 | ||
| B2 | ||
| B3 | ||
| A0 | ||
| A1 | ||
| A2 |
| Symbol | ID | Rate | Stoichiometry |
|---|---|---|---|
| ferredoxin_thioredoxin_reductase | |||
| tr_activation | |||
| tr_inactivation | |||
| atp_synthase | |||
| b6f | |||
| lhc_protonation | |||
| lhc_deprotonation | |||
| cyclic_electron_flow | |||
| violaxanthin_deepoxidase | |||
| zeaxanthin_epoxidase | |||
| fnr | |||
| ndh | |||
| PSII | |||
| PSI | |||
| mehler | |||
| ferredoxin_reductase | |||
| proton_leak | |||
| PTOX | |||
| lhc_state_transition_12 | |||
| lhc_state_transition_21 | |||
| rubisco_carboxylase | |||
| phosphoglycerate_kinase | |||
| gadph | |||
| triose_phosphate_isomerase | |||
| aldolase_dhap_gap | |||
| aldolase_dhap_e4p | |||
| fbpase | |||
| transketolase_gap_f6p | |||
| transketolase_gap_s7p | |||
| SBPase | |||
| ribose_phosphate_isomerase | |||
| ribulose_phosphate_epimerase | |||
| phosphoribulokinase | |||
| g6pi | |||
| phosphoglucomutase | |||
| ex_pga | |||
| ex_gap | |||
| ex_dhap | |||
| ex_g1p | |||
| mda_reductase_1 | |||
| mda_reductase_2 | |||
| ascorbate_peroxidase | |||
| glutathion_reductase | |||
| dehydroascorbate_reductase | |||
| ex_atp | |||
| ex_nadph |
The original model calculates the pH as log10(proton_concentration).
To avoid numerical instabilities, we clamped the pH to the range of 1-14 using log10(clamp(0.1, proton_concentration, 1e-14))..
This model was validated by reproducing the following figures of the original publication.