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Fix alpha-tocopheryl quinone redox reactions #945

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Main improvements in this PR:

As proposed in #611:

  • Changes the GPR of MAR01801 to ENSG00000159228 or ENSG00000181019 and adds PMID:7005231 and PMID:16569397 as references
  • Changes the GPR of MAR01808 to ENSG00000181019 or ENSG00000159348 or ENSG00000166394 or ENSG00000100243 or ENSG00000065615 or ENSG00000215883 and adds PMID:16569397 and PMID:9271353 as references
  • Edits MAR03047 to represent reduction of alpha-tocopheryl quinone with NADPH in the cytosol:
    • MAM01329c + MAM02039c + MAM02555c -> MAM01328c + MAM02554c
    • GPR: ENSG00000159228 or ENSG00000181019
    • references: PMID:7005231;PMID:16569397
  • Edits MAR06500 to represent reduction of alpha-tocopheryl quinone by Complex I:
    • MAM01329c + 5 MAM02039m + MAM02553m -> MAM01329c + 4 MAM02034i + MAM02552m
    • GPR: (same as MAR06921) ENSG00000004779 and ENSG00000023228 and ENSG00000065518 and ENSG00000090266 and ENSG00000099795 and ENSG00000109390 and ENSG00000110717 and ENSG00000115286 and ENSG00000119013 and ENSG00000119421 and ENSG00000125356 and ENSG00000128609 and ENSG00000130414 and ENSG00000131495 and ENSG00000136521 and ENSG00000139180 and ENSG00000140990 and ENSG00000145494 and ENSG00000147123 and ENSG00000147684 and ENSG00000151366 and ENSG00000158864 and ENSG00000160194 and ENSG00000164258 and ENSG00000165264 and ENSG00000166136 and ENSG00000167792 and ENSG00000168653 and ENSG00000170906 and ENSG00000174886 and ENSG00000178127 and ENSG00000183648 and ENSG00000184752 and ENSG00000184983 and ENSG00000186010 and ENSG00000189043 and ENSG00000198695 and ENSG00000198763 and ENSG00000198786 and ENSG00000198840 and ENSG00000198886 and ENSG00000198888 and ENSG00000212907 and ENSG00000213619 and ENSG00000267855
    • references: PMID:16569397
  • Creates MAR20189 to represent reduction of alpha-tocopheryl quinone by Complex III:
    • MAM01329c + 2 MAM01824m + 2 MAM02039m -> MAM01328c + 2 MAM01826m + 4 MAM02039i
    • GPR: (same as MAR06918) ENSG00000010256 and ENSG00000127540 and ENSG00000140740 and ENSG00000156467 and ENSG00000164405 and ENSG00000169021 and ENSG00000173660 and ENSG00000179091 and ENSG00000184076 and ENSG00000198727
    • references: PMID:16569397
  • Creates MAR20190 to represent reduction of alpha-tocopheryl quinone with NADH in the cytosol:
    • MAM01329c + MAM02039c + MAM02553c -> MAM01328c + MAM02552c
    • GPR: ENSG00000181019 or ENSG00000159348 or ENSG00000166394 or ENSG00000100243 or ENSG00000065615 or ENSG00000215883
    • references: PMID:16569397;PMID:9271353

I hereby confirm that I have:

  • Tested my code on my own computer for running the model
  • Selected develop as a target branch
  • Any removed reactions and metabolites have been moved to the corresponding deprecated identifier lists

@Devlin-Moyer Devlin-Moyer linked an issue Dec 24, 2024 that may be closed by this pull request
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This PR has been automatically tested with GH Actions. Here is the output of the MACAW test:

Starting dead-end test...
- Found 1525 dead-end metabolites.
- Found 1332 reactions incapable of sustaining steady-state fluxes in either direction due to these dead-ends.
- Found 1975 reversible reactions that can only carry steady-state fluxes in a single direction due to dead-ends.
Starting duplicate test...
- Skipping redox duplicates because no redox_pairs and/or proton_ids were provided.
- Found 447 reactions that were some type of duplicate:
- 0 were completely identical to at least one other reaction.
- 13 involve the same metabolites but go in the opposite direction or have the opposite reversibility as at least one other reaction.
- 447 involve the same metabolites but with different coefficients as at least one other reaction.

This and a more detailed output from MACAW are also committed to data/macawResults/.

Note: In the case of multiple test runs, this post will be edited.

@Devlin-Moyer Devlin-Moyer changed the title Fix/alpha toc redox Fix alpha-tocopheryl quinone redox reactions Dec 24, 2024
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Redox of Alpha-Tocopheryl (Hydroxy)Quinone
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