Aging proteomics repository / PXD031604

Analysis of 20-HETE supplementation in calorically restricted C57Bl6 mice

PXD031604 · PRIDE record

Generated summary PXD031604 is a DDA label-free dataset (Mus musculus) with 15 runs, 15 samples and no enrichment step (whole proteome). It was reanalysed with MetaMorpheus 1.1.13. At 1% FDR the search reports 1,406,442 PSMs, 104,634 peptidoforms and 6,865 protein groups, and the repository holds 55,041 PTM sites for it. 6 open warnings about it are recorded.
Written from catalog fields only (D17), with no model involved. It says nothing the tables below do not.

Open findings

Recorded against this dataset: 0 errors, 6 warnings and 1 for information

count_mismatch warning
The bundle holds 1.40644e+06 where the producer reported 1.4072e+06 (results.txt: All target PSMs with q-value <= 0.01 (pxreprise:DEF-PSM-1PCT v1)). Both numbers are kept; treat the producer's as canonical until the difference is explained.
low_core_use warning
15.64 avg cores of 32 allowed (S5)
no_sdrf warning
No SDRF was found for this dataset, so each run was given a synthetic sample of its own. There is no sample metadata: treat every sample as unannotated.
occupancy_not_stored warning
Of 463467 occupancy entries MetaMorpheus wrote, some are not in ptm_stoichiometry: 10205 site not in ptm_sites. 'site not in ptm_sites' means the entry's site has no ptm_sites row to key on; 'not determinable' means a cell's segments could not be assigned to its accessions from the sequences (QuantProject DEF-OCC-ACCESSION), which is never guessed. Absence of a row for these sites is therefore not NA. A 'duplicate' is a second entry for a (site, run) that already has a row: one with identical values loses nothing; one with DIFFERENT values means MetaMorpheus wrote two answers and the first in file order was stored (examples in bundle.json occupancy.differing_duplicates; which one should be stored is QuantProject's to define).
peptide_rows_localization_ambiguous warning
2356 row(s) of AllQuantifiedPeptides.tsv name several full sequences, joined by `|`: a peptide whose modification site the search did not settle (MetaMorpheus #2917). Their 4206 value(s) are not stored, since storing them under one of the sequences would place them on a site the search never decided. The PSMs behind them are in `psms`. E.g. `AADIS[UniProt:Phosphoserine on S]QWAGPLC[Common Fixed:Carbamidomethyl on C]LQ[Common Artifact:Deamidation on Q]EVDEPPQHALR|AADIS[UniProt:Phosphoserine on S]Q[Common Artifact:Deamidation on Q]WAGPLC[Common Fixed:Carbamidomethyl on C]LQEVDEPPQHALR`, `AADKD[Common Biological:Carboxylation on D]TC[Common Biological:Nitrosylation on C]FSTEGPNLVTR|AADK[Common Biological:Carboxylation on K]DTC[Common Biological:Nitrosylation on C]FSTEGPNLVTR|AAD[Common Biological:Carboxylation on D]KDTC[Common Biological:Nitrosylation on C]FSTEGPNLVTR`, `AAEAAASAYYNPGNPHN[Common Artifact:Deamidation on N]VYM[Common Variable:Oxidation on M]PTSQPPPPPYYPPEDK|AAEAAASAYYNPGN[Common Artifact:Deamidation on N]PHNVYM[Common Variable:Oxidation on M]PTSQPPPPPYYPPEDK|AAEAAASAYYN[Common Artifact:Deamidation on N]PGNPHNVYM[Common Variable:Oxidation on M]PTSQPPPPPYYPPEDK`.
unplaced_ptm_sites warning
Some modifications on peptides shared between proteins were not written to ptm_sites for one or more of those proteins, because the peptide could not be located in that protein's sequence and the producer's residue spans cannot be paired with its accessions. Of the (PSM, protein) pairs affected: 2386 named a protein that does not contain the stored peptide -- typically a PSM ambiguous between peptide sequences (level 4 or 5), where this protein carries a different candidate than the first, which is the one stored. Sites on the other proteins of the same PSMs are written. Counts are in bundle.json under protein_databases.
occupancy_decoy_groups info
88 occupancy entries on decoy protein groups were not stored: MetaMorpheus computes them, and they are FDR machinery, not biology.

What was found

PSMs at 1% FDR1,406,442
Peptidoforms at 1% FDR104,634
Protein groups at 1% FDR6,865
PTM sites55,041
Quantitative values924,888
PSMs, all (including decoys and sub-threshold)2,445,896
MS2 identification rate (pxreprise:DEF-ID-RATE)80.9%
Contaminant share of PSMs (pxreprise:DEF-CONTAM-PSM)0.2%

How it was measured

Organism searched
Mus musculus (the protein database's organism, not a statement about the samples)
Acquisition
DDA
Quantification
label_free
Labelling
none
Enrichment
none
Instrument vendor
not recorded
Runs / samples
15 / 15
Sample metadata
absent
Search engine
MetaMorpheus 1.1.13
Protein database
UP000000589_all_genecentric_2026_03_agingPTM-v6.xml
Pipeline commit
314f6ae55a6e

Modifications

Search engine's nameUNIMODSites
Carbamidomethyl on CUNIMOD:417,079
Oxidation on MUNIMOD:3514,347
Deamidation on QUNIMOD:75,996
Deamidation on NUNIMOD:75,116
Hydroxylation on PUNIMOD:351,296
Hydroxylation on NUNIMOD:35853
Ammonia loss on NUNIMOD:385612
Phosphoserine on SUNIMOD:21517
Hydroxylation on KUNIMOD:35434
Citrullination on RUNIMOD:7432
Sodium on EUNIMOD:30427
Methylation on KUNIMOD:34423
Sodium on DUNIMOD:30418
Ammonia loss on CUNIMOD:385417
Magnesium on EUNIMOD:956370
Magnesium on DUNIMOD:956342
Acetylation on XUNIMOD:1328
Carbamyl on XUNIMOD:5322
N-acetylalanine on AUNIMOD:1299
Water Loss on EUNIMOD:27260
N6-acetyllysine on KUNIMOD:1251
Calcium on DUNIMOD:951228
Calcium on EUNIMOD:951223
Phosphorylation on SUNIMOD:21205
Fe[III] on EUNIMOD:1870188
Methylation on RUNIMOD:34181
Fe[III] on DUNIMOD:1870174
Fe[II] on DUNIMOD:952166
Acetylation on KUNIMOD:1155
Potassium on DUNIMOD:530154
Fe[II] on EUNIMOD:952148
Phosphorylation on TUNIMOD:21145
N-acetylmethionine on MUNIMOD:1136
Potassium on EUNIMOD:530131
Formylation on KUNIMOD:122122
Dimethylation on KUNIMOD:36116
N-acetylserine on SUNIMOD:1109
Trimethylation on KUNIMOD:37103
HexNAc on TUNIMOD:4397
Phosphothreonine on TUNIMOD:2197
HexNAc on SUNIMOD:4396
Malonylation on KUNIMOD:74781
Dimethylation on RUNIMOD:3679
N6-succinyllysine on K—78
GG (Ubiquitination Site) on KUNIMOD:12168
Crotonylation on KUNIMOD:136359
Glutarylation on KUNIMOD:184856
Hydroxybutyrylation on K—56
Carbamyl on MUNIMOD:548
Carbamyl on KUNIMOD:545
Omega-N-methylarginine on RUNIMOD:3445
4-hydroxyproline on PUNIMOD:3541
Phosphorylation on YUNIMOD:2140
Carboxylation on EUNIMOD:29938
Carboxylation on DUNIMOD:29937
Succinylation on KUNIMOD:6434
Butyrylation on KUNIMOD:128933
Deamidated asparagine on NUNIMOD:728
Nitrosylation on CUNIMOD:27528
N-acetylthreonine on TUNIMOD:126
Carboxylation on KUNIMOD:29924
Phosphotyrosine on YUNIMOD:2122
Asymmetric dimethylarginine on RUNIMOD:3621
N6-methyllysine on KUNIMOD:3421
N6,N6-dimethyllysine on KUNIMOD:3619
Pyridoxal phosphate on KUNIMOD:4618
N-myristoyl glycine on GUNIMOD:4517
N6-(2-hydroxyisobutyryl)lysine on KUNIMOD:184917
Cu[I] on DUNIMOD:53116
N6,N6,N6-trimethyllysine on KUNIMOD:3716
Nitrosylation on YUNIMOD:35415
Carbamyl on CUNIMOD:511
Carbamyl on RUNIMOD:511
N6-glutaryllysine on K—11
N6-isonicotinyllysine on KUNIMOD:69710
Zinc on DUNIMOD:9549
N6-methacryllysine on K—7
Sulfonation on YUNIMOD:407
Dimethylated arginine on RUNIMOD:366
N-acetylvaline on VUNIMOD:16
N6-malonyllysine on K—6
Tele-methylhistidine on HUNIMOD:346
5-hydroxylysine on KUNIMOD:355
Cu[I] on EUNIMOD:5315
N-acetylglycine on GUNIMOD:15
N6-benzoyllysine on KUNIMOD:1365
Citrulline on RUNIMOD:74
N-acetylcysteine on CUNIMOD:14
3'-nitrotyrosine on Y—3
Allysine on KUNIMOD:3523
Cysteine persulfide on CUNIMOD:4213
HexNAc on NxsUNIMOD:433
Zinc on EUNIMOD:9543
5-glutamyl glycerylphosphorylethanolamine on EUNIMOD:3962
Glu to PyroGlu on QUNIMOD:282
Leucine methyl ester on LUNIMOD:342
N,N,N-trimethylglycine on G—2
N6-(beta-hydroxybutyryl)lysine on KUNIMOD:18492
N6-acetyl-N6-methyllysine on K—2
N6-biotinyllysine on KUNIMOD:32
N6-butyryllysine on KUNIMOD:12892
N6-lipoyllysine on KUNIMOD:422
Pros-methylhistidine on HUNIMOD:342
S-farnesyl cysteine on CUNIMOD:442
S-geranylgeranyl cysteine on CUNIMOD:482
S-nitrosocysteine on CUNIMOD:2752
Tele-8alpha-FAD histidine on HUNIMOD:502
(3S)-3-hydroxyasparagine on N—1
(3S)-3-hydroxyhistidine on H—1
(3S)-3-hydroxylysine on K—1
3-hydroxyproline on PUNIMOD:351
4-hydroxylysine on KUNIMOD:351
5-glutamyl serotonin on Q—1
Cysteine sulfinic acid (-SO2H) on CUNIMOD:4251
Diphthamide on HUNIMOD:3751
N-acetylaspartate on DUNIMOD:11
N-acetylglutamate on EUNIMOD:11
N-acetylproline on PUNIMOD:11
N5-methylglutamine on QUNIMOD:341
N6-1-carboxyethyl lysine on KUNIMOD:3781
N6-propionyllysine on KUNIMOD:581
S-palmitoyl cysteine on CUNIMOD:471
Symmetric dimethylarginine on RUNIMOD:361

Every modification with a site on a target protein, most frequent first. A dash in the UNIMOD column means the modification has no UNIMOD term in the registry that searched it, not that it is unknown. One chemistry can appear under two names (UniProt's and MetaMorpheus's); the catalog's ptm_sites_by_chemistry view merges them.

Data

The Parquet files for this dataset are not published yet.

Bundle
7953d0d268b6080e, written 2026-10-30T13:28:00+00:00 by ingester 1.4.0
Reconciliation
failed: psms_target_1pct (the bundle disagrees with the producer's own count here)
Licence
CC-BY-4.0
Credit
NCEMS Aging Proteome Working Group