Here, we list the associated components in the example model, iPfal19, and discuss some of the challenges in implementing these standards. This is the third iteration of the Plasmodium falciparum 3D7 genome‐scale metabolic network reconstruction. The original reconstruction was generated using a custom pipeline and multiple rounds of curation were conducted (Carey et al, 2017). iPfal19 fails to compile with several of the recommended guidelines, see notes for explanations and the Memote report for other issues. Additionally, the README file associated with this model is sparser than ideal due to the lack of documentation associated with the original curation efforts. |
Model
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Metabolite
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Biochemical reaction
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Gene
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Some metabolites do not have a charge or formula associated with them including metabolites representing host or parasite proteins. If many different proteins can participate in a reaction, the reaction contains a generic reactant to represent all of the possible protein reactants. Of the 6% problematic metabolites, nearly all are proteins or aggregate metabolites.
Not all BiGG IDs are mapped to InChI strings, EC numbers, or other useful identifiers (e.g., https://www.metanetx.org/chem_info/MNXM4217). This interferes with some Memote functionality, such as identifying duplicate reactions.
BiGG‐like IDs are proposed new BiGG IDs consistent with the general naming approach in BiGG. For example, new IDs (pheme_fv, pheme_ap) have been created for protoheme corresponding to protoheme located in parasite‐specific compartments, the food vacuole and apicoplast, respectively, consistent with existing BiGG IDs for protoheme (http://bigg.ucsd.edu/universal/metabolites/pheme). New reactions are created when the existing BiGG reaction occurs in only one compartment but should be present elsewhere in iPfal19. For example, “PLIPA2A120pp” is a periplasmic reaction in BiGG but occurs in the cytoplasm of P. falciparum; “pp” is the suffix used to denote the periplasm so the new cytoplasmic version is named “PLIPA2A120.” Additionally, new aggregate reactions (i.e., relevant pseudoreactions) were created and named intuitively (e.g., lipid1, lipid2).
Transporters, exchange reactions, and aggregate reactions should not have an EC number and these make up 35% of all reactions.