Aging proteomics repository / PXD016793

Proteomics analysis of rat liver after disulfiram treatment

PXD016793 · PRIDE record

Generated summary PXD016793 is a DDA label-free dataset (Rattus norvegicus) with 24 runs, 24 samples and no enrichment step (whole proteome). It was reanalysed with MetaMorpheus 1.1.13. At 1% FDR the search reports 2,314,854 PSMs, 68,434 peptidoforms and 5,609 protein groups, and the repository holds 42,538 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 2.31485e+06 where the producer reported 2.3152e+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
11.33 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 460127 occupancy entries MetaMorpheus wrote, some are not in ptm_stoichiometry: 9620 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
1578 row(s) of AllQuantifiedPeptides.tsv name several full sequences, joined by `|`: a peptide whose modification site the search did not settle (MetaMorpheus #2917). Their 8374 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. `AAAEVNQ[Common Artifact:Deamidation on Q]EYGLDPK|AAAEVN[Common Artifact:Deamidation on N]QEYGLDPK`, `AADAHVDAHYYEQNEQ[Common Artifact:Deamidation on Q]PTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGN[Common Artifact:Deamidation on N]R|AADAHVDAHYYEQN[Common Artifact:Deamidation on N]EQPTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGN[Common Artifact:Deamidation on N]R|AADAHVDAHYYEQN[Common Artifact:Deamidation on N]EQ[Common Artifact:Deamidation on Q]PTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGNR|AADAHVDAHYYEQ[Common Artifact:Deamidation on Q]NEQPTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGN[Common Artifact:Deamidation on N]R|AADAHVDAHYYEQ[Common Artifact:Deamidation on Q]NEQ[Common Artifact:Deamidation on Q]PTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGNR|AADAHVDAHYYEQ[Common Artifact:Deamidation on Q]N[Common Artifact:Deamidation on N]EQPTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGNR`, `AADAHVDAHYYEQNE[Metal:Fe[III] on E]QPTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGNR|AADAHVDAHYYE[Metal:Fe[III] on E]QNEQPTGTC[Common Fixed:Carbamidomethyl on C]AAC[Common Fixed:Carbamidomethyl on C]ITGGNR`.
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: 9529 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
44 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% FDR2,314,854
Peptidoforms at 1% FDR68,434
Protein groups at 1% FDR5,609
PTM sites42,538
Quantitative values1,555,038
PSMs, all (including decoys and sub-threshold)4,740,896
MS2 identification rate (pxreprise:DEF-ID-RATE)60.8%
Contaminant share of PSMs (pxreprise:DEF-CONTAM-PSM)0.2%

How it was measured

Organism searched
Rattus norvegicus (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
24 / 24
Sample metadata
absent
Search engine
MetaMorpheus 1.1.13
Protein database
UP000002494_all_genecentric_2026_03_agingPTM-v6.xml
Pipeline commit
314f6ae55a6e

Modifications

Search engine's nameUNIMODSites
Carbamidomethyl on CUNIMOD:414,704
Oxidation on MUNIMOD:3512,489
Deamidation on NUNIMOD:73,607
Deamidation on QUNIMOD:72,129
Ammonia loss on NUNIMOD:385748
Hydroxylation on PUNIMOD:35583
Sodium on EUNIMOD:30575
Magnesium on EUNIMOD:956486
Sodium on DUNIMOD:30460
Fe[III] on EUNIMOD:1870450
Ammonia loss on CUNIMOD:385440
Magnesium on DUNIMOD:956392
Hydroxylation on NUNIMOD:35379
N6-acetyllysine on KUNIMOD:1372
Fe[III] on DUNIMOD:1870332
Water Loss on EUNIMOD:27320
Citrullination on RUNIMOD:7256
Phosphoserine on SUNIMOD:21251
Hydroxylation on KUNIMOD:35223
Calcium on DUNIMOD:951219
Calcium on EUNIMOD:951219
Fe[II] on EUNIMOD:952199
Fe[II] on DUNIMOD:952185
Acetylation on XUNIMOD:1168
Potassium on EUNIMOD:530148
N-acetylalanine on AUNIMOD:1133
Potassium on DUNIMOD:530129
Methylation on KUNIMOD:34120
Carbamyl on XUNIMOD:5103
N6-succinyllysine on K—87
Formylation on KUNIMOD:12267
Acetylation on KUNIMOD:165
4-hydroxyproline on PUNIMOD:3564
N-acetylserine on SUNIMOD:161
N-acetylmethionine on MUNIMOD:160
Phosphothreonine on TUNIMOD:2157
Carbamyl on KUNIMOD:553
Deamidated asparagine on NUNIMOD:746
Methylation on RUNIMOD:3445
Carboxylation on DUNIMOD:29942
Dimethylation on KUNIMOD:3641
Carboxylation on EUNIMOD:29940
Phosphorylation on SUNIMOD:2133
Carbamyl on MUNIMOD:532
Trimethylation on KUNIMOD:3731
Nitrosylation on YUNIMOD:35425
Phosphorylation on TUNIMOD:2125
N6-methyllysine on KUNIMOD:3420
Omega-N-methylarginine on RUNIMOD:3419
Carboxylation on KUNIMOD:29918
Phosphotyrosine on YUNIMOD:2118
Dimethylation on RUNIMOD:3616
N6,N6-dimethyllysine on KUNIMOD:3615
N6,N6,N6-trimethyllysine on KUNIMOD:3713
Nitrosylation on CUNIMOD:27513
Glutarylation on KUNIMOD:184812
Malonylation on KUNIMOD:74712
Asymmetric dimethylarginine on RUNIMOD:3611
N-acetylthreonine on TUNIMOD:110
N-acetylvaline on VUNIMOD:110
5-hydroxylysine on KUNIMOD:359
GG (Ubiquitination Site) on KUNIMOD:1219
HexNAc on SUNIMOD:439
Crotonylation on KUNIMOD:13638
S-nitrosocysteine on CUNIMOD:2758
Carbamyl on CUNIMOD:57
Hydroxybutyrylation on K—7
N6-glutaryllysine on K—7
Succinylation on KUNIMOD:647
Glu to PyroGlu on QUNIMOD:286
Citrulline on RUNIMOD:75
Butyrylation on KUNIMOD:12894
Cu[I] on DUNIMOD:5314
Cysteine persulfide on CUNIMOD:4214
Phosphorylation on YUNIMOD:214
Tele-methylhistidine on HUNIMOD:344
3'-nitrotyrosine on Y—3
N-acetylcysteine on CUNIMOD:13
N-acetylglycine on GUNIMOD:13
N5-methylglutamine on QUNIMOD:343
N6-benzoyllysine on KUNIMOD:1363
N6-crotonyllysine on K—3
N6-isonicotinyllysine on KUNIMOD:6973
N6-malonyllysine on K—3
N6-methacryllysine on K—3
Pros-methylhistidine on HUNIMOD:343
Tele-8alpha-FAD histidine on HUNIMOD:503
3-hydroxyproline on PUNIMOD:352
5-glutamyl glycerylphosphorylethanolamine on EUNIMOD:3962
Carbamyl on RUNIMOD:52
HexNAc on TUNIMOD:432
Leucine methyl ester on LUNIMOD:342
N-myristoyl glycine on GUNIMOD:452
N6-(2-hydroxyisobutyryl)lysine on KUNIMOD:18492
N6-(beta-hydroxybutyryl)lysine on KUNIMOD:18492
N6-butyryllysine on KUNIMOD:12892
N6-propionyllysine on KUNIMOD:582
Pyridoxal phosphate on KUNIMOD:462
Zinc on DUNIMOD:9542
(3S)-3-hydroxyhistidine on H—1
4-carboxyglutamate on EUNIMOD:2991
4-hydroxylysine on KUNIMOD:351
Allysine on KUNIMOD:3521
Cu[I] on EUNIMOD:5311
Dimethylated arginine on RUNIMOD:361
Diphthamide on HUNIMOD:3751
HexNAc on NxtUNIMOD:431
N-acetylaspartate on DUNIMOD:11
N-acetylglutamate on EUNIMOD:11
N-acetylproline on PUNIMOD:11
N6-acetyl-N6-methyllysine on K—1
N6-biotinyllysine on KUNIMOD:31
O-AMP-threonine on TUNIMOD:4051
Pros-8alpha-FAD histidine on HUNIMOD:501
S-(2-succinyl)cysteine on CUNIMOD:9571
S-palmitoyl cysteine on CUNIMOD:471
Sulfonation on YUNIMOD:401
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
5c0c9c933029845e, written 2026-10-31T21:49:02+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