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Fix DHODH Reactions #713

Merged
merged 3 commits into from
Oct 31, 2023
Merged

Fix DHODH Reactions #713

merged 3 commits into from
Oct 31, 2023

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Devlin-Moyer
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@Devlin-Moyer Devlin-Moyer commented Oct 23, 2023

Main improvements in this PR:

As proposed in #609:

  • Creates a new metabolite MAM20019c to represent cytosolic FMNH2
  • Replaces MAM03103m with MAM01828c and MAM03102m with MAM20019c in MAR04575
  • Creates a new reaction to represent redox of FMN(H2) and ubiquinone/ubiquinol catalyzed by DHODH: MAR20167: MAM20019c + MAM03103m <-> MAM01828c + MAM03102m, GPR: ENSG00000102967, references: PMID:34428349

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 changed the title feat: added MAM20019c to represent cytosolic FMNH2 Fix DHODH Reactions Oct 23, 2023
@Devlin-Moyer Devlin-Moyer mentioned this pull request Oct 25, 2023
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@haowang-bioinfo
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looks fine - suggest to add Rhea id: 30187

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Devlin-Moyer commented Oct 25, 2023

I feel a bit weird about that, cuz after these changes, MAR04575 would be redox between (dihydro)orotate and FMN(H2), and MAR20167 would be redox between FMN(H2) and ubiquinone/ol, and that RHEA ID is for redox between (dihydro)orotate and ubiquinone/ol. There doesn't appear to be a RHEA ID that exactly matches either of these reactions, but I suppose I could add 31087 as the RHEA ID for both MAR04575 and MAR20167 if that's what you were suggesting

@haowang-bioinfo
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haowang-bioinfo commented Oct 25, 2023

sorry my comments was not clear, what I suggested was adding this Rhea id to MAR20167. What do you think?

I feel a bit weird about that, cuz after these changes, MAR04575 would be redox between (dihydro)orotate and FMN(H2), and MAR20167 would be redox between FMN(H2) and ubiquinone/ol, and that RHEA ID is for redox between (dihydro)orotate and ubiquinone/ol. There doesn't appear to be a RHEA ID that exactly matches either of these reactions, but I suppose I could add 31087 as the RHEA ID for both MAR04575 and MAR20167 if that's what you were suggesting

@Devlin-Moyer does this mean that Rhea:30187 is equivalent to the merging of MAR04575+MAR20167?

@haowang-bioinfo haowang-bioinfo merged commit b5ce9c9 into develop Oct 31, 2023
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@haowang-bioinfo haowang-bioinfo deleted the fix/dhodh_rxns branch October 31, 2023 20:47
@Devlin-Moyer Devlin-Moyer mentioned this pull request Nov 1, 2023
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@haowang-bioinfo haowang-bioinfo mentioned this pull request Dec 3, 2023
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2 participants