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chore: merge in latest develop branch
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Devlin-Moyer committed Dec 28, 2023
2 parents c341127 + d74abc9 commit c09f91e
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26 changes: 26 additions & 0 deletions code/modelCuration/reportPeroxGenesFromBetaoxidationGPRsInMito.py
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# 1. read gene compartment from genes.tsv and load model
# 2. get the reactions in fatty acid oxidation subsystem and mitochondria compartment
# 3. go through the reactions and check the compartment of each genes in the GPR
# 4. report the genes that are only expressed in peroxisome
import csv
import cobra
import pandas as pd

# load genes.tsv and read info into a dict for genes and their compartments
with open("../../model/genes.tsv", 'r') as file:
reader = csv.reader(file, delimiter='\t')
geneCompDict = {row[0]: row[8] for row in reader}

# load model
model = cobra.io.load_yaml_model('../../model/Human-GEM.yml')

# collect reactions from "Fatty acid oxidation" subsystem and in [m] compartment
subsys = 'Fatty acid oxidation'
targetComp = {'m'}
for r in model.reactions:
if subsys in r.subsystem and targetComp == r.compartments:
# go through collected reactions find genes that exist only in peroxisome
for g in r.genes:
if geneCompDict[g.id] == 'Peroxisome':
print(f'{r.id} | {g.id} | {r.build_reaction_string(True)} | {r.gene_reaction_rule} | {r.gene_name_reaction_rule}')

5 changes: 5 additions & 0 deletions data/deprecatedIdentifiers/deprecatedMetabolites.tsv
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Expand Up @@ -2258,3 +2258,8 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa
"MAM03684m" "MAM03684" "hxa" "" "" "" "" "" "" "" "hxa" "MNXM1653" "" "hxa_m"
"MAM03684e" "MAM03684" "hxa" "" "" "" "" "" "" "" "hxa" "MNXM1653" "" "hxa_s"
"MAM03684x" "MAM03684" "hxa" "" "" "" "" "" "" "" "hxa" "MNXM1653" "" "hxa_p"
"MAM02986n" "MAM02986" "tcynt" "C01755" "HMDB0001453" "CHEBI:18022" "9322" "" "" "" "tcynt" "MNXM762" "" "m02986n"
"MAM02158m" "MAM02158" "" "" "" "" "124985" "" "CE2011" "" "CE2011" "MNXM57006" "" "m02158m"
"MAM02158n" "MAM02158" "" "" "" "" "124985" "" "CE2011" "" "CE2011" "MNXM57006" "" "m02158n"
"MAM00678c" "MAM00678" "" "" "" "" "22833562" "" "CE2435" "" "dec24dicoa" "MNXM1601" "" "m00678c"
"MAM03035c" "MAM03035" "" "" "" "" "16019966" "" "CE5121" "" "dece3coa" "MNXM90096" "" "m03035c"
17 changes: 17 additions & 0 deletions data/deprecatedIdentifiers/deprecatedReactions.tsv
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Expand Up @@ -262,7 +262,24 @@ rxns rxnKEGGID rxnBiGGID rxnEHMNID rxnHepatoNET1ID rxnREACTOMEID rxnRecon3DID rx
"MAR04239" "R01933" "2OXOADOXm" "R01933M" "r0448" "" "2OXOADOXm" "MNXR94818" "HMR_4239" "RCR11332" "" 0 "RHEA:30796" "RHEA:30795" "HMR_4239"
"MAR04940" "" "" "" "r0885" "" "r0885" "MNXR105402" "HMR_4940" "RCR20265" "2.A.29.2.7" 0 "" "" "HMR_4940"
"MAR06391" "" "" "" "r2520" "" "r2520" "MNXR106328" "HMR_6391" "RCR20063" "" 0 "" "" "HMR_6391"
"MAR06329" "" "FAOXC8C6m" "" "" "" "FAOXC8C6m" "" "" "" "" 0 "" "" "FAOXC8C6m"
"MAR06283" "" "FAOXC6C4m" "" "" "" "FAOXC6C4m" "" "" "" "" 0 "" "" "FAOXC6C4m"
"MAR06279" "" "FAOXC61C4m" "" "" "" "FAOXC61C4m" "" "" "" "" 0 "" "" "FAOXC61C4m"
"MAR05449" "" "FAOXC4020m" "" "" "" "FAOXC4C2m" "MNXR99368" "" "" "" 0 "" "" "FAOXC4C2m"
"MAR01009" "" "FAOXC80" "" "" "" "FAOXC80" "MNXR99373" "" "" "" 0 "" "" "FAOXC80"
"MAR02532" "" "RE0702M" "" "" "" "RE0702M" "MNXR103471" "" "" "" 0 "" "" "RE0702M"
"MAR02534" "" "RE0702N" "" "" "" "RE0702N" "MNXR103471" "" "" "" 0 "" "" "RE0702N"
"MAR03748" "R01210" "OIVD2m" "R03171M" "r0600" "" "OIVD2m" "MNXR102173;MNXR107999" "HMR_3748" "RCR14420" "" 0 "" "RHEA:13997" "HMR_3748"
"MAR03780" "R03171" "OIVD3m" "R03171M" "r0602" "" "OIVD3m" "MNXR102174;MNXR107999" "HMR_3780" "RCR10345" "" 0 "" "RHEA:30907" "HMR_3780"
"MAR03422" "" "" "" "" "" "HMR_3422" "" "HMR_3422" "RCR12667" "" 0 "" "" "HMR_3422"
"MAR03748" "R01210" "OIVD2m" "R03171M" "r0600" "" "OIVD2m" "MNXR102173;MNXR107999" "HMR_3748" "RCR14420" "" 0 "" "RHEA:13997" "HMR_3748"
"MAR03780" "R03171" "OIVD3m" "R03171M" "r0602" "" "OIVD3m" "MNXR102174;MNXR107999" "HMR_3780" "RCR10345" "" 0 "" "RHEA:30907" "HMR_3780"
"MAR00789" "" "FAOXC183803m" "" "" "" "FAOXC183803m" "MNXR99325" "" "" "" 0 "" "" "FAOXC183803m"
"MAR03426" "" "HMR_3426" "" "" "" "HMR_3426" "" "HMR_3426" "RCR12671" "" 0 "" "" "HMR_3426"
"MAR05019" "" "FAOXC10C10OHm" "" "" "" "FAOXC10C10OHm" "" "" "" "" 0 "" "" "FAOXC10C10OHm"
"MAR04967" "" "FAOXC101C8m" "" "" "" "FAOXC101C8m" "" "" "" "" 0 "" "" "FAOXC101C8m"
"MAR05024" "" "FAOXC10080m" "" "" "" "FAOXC10C8m" "MNXR99262" "" "" "" 0 "" "" "FAOXC10C8m"
"MAR03322" "" "" "RE3627X" "" "" "HMR_3322" "MNXR124610" "HMR_3322" "RCR14521" "" 0 "" "" "HMR_3322"
"MAR03296" "" "" "RE3627M" "" "R-HSA-109343" "HMR_3296" "MNXR124610" "HMR_3296" "RCR12779" "" 0 "" "" "HMR_3296"
"MAR04005" "" "" "" "" "" "RE3627C" "" "" "" "" 0 "" "" "RE3627C"
"MAR00965" "" "FAOXC2252053m" "" "" "" "FAOXC2252053m" "MNXR99352" "" "" "" 0 "" "" "FAOXC2252053m"
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