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fix: refine Trp metabolism reactions and GPRs #708

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merged 6 commits into from
Oct 16, 2023
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@haowang-bioinfo haowang-bioinfo commented Oct 15, 2023

Main improvements in this PR:

This PR revises tryptophan metabolism reactions and GPRs, as outlined in #545

  • remove ENSG00000159423 (ALDH4A1) from MAR00051 because substrate mismatch
  • remove MAR08564+MAR08565 that are duplicate to MAR04222
    MAR08564: AKG [c] + kynurenine [c] ⇒ 4-(2-aminophenyl)-2,4-dioxobutanoate [c] + glutamate [c]
    MAR08565: 4-(2-aminophenyl)-2,4-dioxobutanoate [c] ⇒ 4-hydroxy-2-quinolinecarboxylic acid [c] + H2O [c]
    MAR04222: AKG [c] + kynurenine [c] ⇔ 4-hydroxy-2-quinolinecarboxylic acid [c] + H2O [c] + glutamate [c]
  • merges annotations for MAR08564 and MAR08565 in reactions.tsv with those for MAR04222
  • adds RHEA IDs to the annotations for MAR04222 and MAR02765 (mitochondria version), and make them irreversible accordingly
  • removes now-isolated MAM00926c (4-(2-aminophenyl)-2,4-dioxobutanoate)

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

- The substrate of ENSG00000159423 (ALDH4A1) is known as L-glutamate 5-semialdehyde, instead of 5-hydroxyindoleacetaldehyde
- remove MAR08564+MAR08565 that are duplicate to MAR04222
- reverse reaction direction of MAR04222
- ENSG00000109576 (AADAT) is localized in mitochondrion, not cytosol
- make MAR04222 and MAR02765 irreversible based on Uniprot annotation
- update their Rhea ids
- MAM00926c becomes deprecated after removal of MAR08564+MAR08565
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@feiranl feiranl left a comment

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LGTM! I added a missing change in the description.

@feiranl feiranl merged commit 4d59404 into develop Oct 16, 2023
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@haowang-bioinfo haowang-bioinfo deleted the fix/refineTrpRxnGPRs branch October 16, 2023 14:39
@haowang-bioinfo haowang-bioinfo mentioned this pull request Dec 3, 2023
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3 participants