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GPRs for Mitochondrial Acyl-CoA Dehydrogenase Reactions #634

@Devlin-Moyer

Description

@Devlin-Moyer

Current behavior:

As briefly mentioned in #607, some mitochondrial reactions in Human-GEM are associated with genes that catalyze analogous reactions in peroxisomes and not mitochondria. I found a total of 128 reactions that involve at least one metabolite in [m] and at least one enzyme known to be involved in fatty-acid oxidation in peroxisomes and not mitochondria. Trying to address all of them in a single issue proved to be unwieldy, so I've moved most into separate issues, and have edited this one so it only addresses the acyl-CoA dehydrogenation reactions:

ID Reaction Chain Length Unsaturated? Current GPR Proposed New GPR
MAR01253 20-CoA-20-oxo-LTB4 + O2 --> (18E)-20-oxo-20-CoA-LTB4 + H2O2 20 yes ACOX3 or ACOX1 ACAD9 or ACADL or ACADVL (ENSG00000072778 or ENSG00000115361 or ENSG00000177646)
MAR01270 10,11-dihydro-LTB4-CoA + O2 --> 5(S),12(R)-dihydroxy-eicosa-2,8-trans-6,14-cis-tetraenoyl-CoA + H2O2 20 yes ACOX3 or ACOX1 ACAD9 or ACADL or ACADVL (ENSG00000072778 or ENSG00000115361 or ENSG00000177646)
MAR03997 O2 + Cis-6-Dodecenoyl Coenzyme A --> H2O2 + trans,cis-lauro-2,6-dienoyl-CoA 12 yes ACOX1 ACADL or ACADVL (ENSG00000072778 or ENSG00000115361)
MAR03291 FADH2 + Trans,Cis-Dodeca-2,5-Dienoyl Coenzyme A <=> (5Z)-dodecenoyl-CoA + FAD 12 yes ACADL or ACADM or ACOX1 or ACADSB ACADL (ENSG00000115361)
MAR03163 butyryl-CoA + FAD --> crotonyl-CoA + FADH2 4 no ACAD10 or ACADM or ACADS or ACAD8 or ACAD9 or ACADSB or ACAD11 ACADS or ACADSB (ENSG00000122971 or ENSG00000196177) (updated in light of #980)
MAR03212 FAD + propanoyl-CoA --> acrylyl-CoA + FADH2 3 no ACAD10 or ACADM or ACADS or ACAD8 or ACAD9 or ACADSB or ACAD11 ACADS or ACADSB (ENSG00000122971 or ENSG00000196177) (updated in light of #980)

Expected behavior:

ACOX1 and ACOX3 catalyze the oxidation of acyl-CoAs into 2-trans-enoyl-CoAs in peroxisomes, so neither of them should be associated with any of these reactions. The enzymes responsible for catalyzing the same reaction in mitochondria are ACADVL, ACADL, ACADM, ACADS, ACADSB, ACAD8, ACAD9, and ACAD11 (see this paper for a general overview of the differences between mitochondrial and peroxisomal beta-oxidation reactions (specifically figure 1)). The ACADs all have different preferences/affinities for acyl-CoAs with different chain lengths, which is why I included a column for the chain length in the above table, and I've tried to ensure my proposed new GPRs reflect these preferences:

Enzyme Chain Lengths Can Handle Unsaturation? Sources
ACADVL 12-24 yes figure 4E-H, figure 2 and table 3
ACADL 6-24 yes figure 4E-H, figure 3
ACADM 6-16 no figure 4E-H, figure 4
ACADS 4 no figure 4E-H
ACADSB <=6 no table 2
ACAD8 3-4 no figure 3
ACAD9 9-11, 14-22 yes figure 4
ACAD11 20-24 unknown figure 4E-H

Proposed Changes:

  • Set GPRs of MAR01253 and MAR01270 to ENSG00000072778 or ENSG00000115361 or ENSG00000177646
  • Set the GPR of MAR03997 to ENSG00000072778 or ENSG00000115361
  • Set the GPR of MAR03291 to ENSG00000115361
  • Set GPRs of MAR03163 and MAR03212 to ENSG00000122971 or ENSG00000196177 (updated in light of Mistakes GPR rules beta oxidation - ACAD #980)

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