Computational prediction of proteotypic peptides for quantitative proteomics

Parag Mallick, Markus Schirle, Sharon S. Chen, Mark Flory, Hookeun Lee, Daniel Martin, Jeffrey Ranish, Brian Raught, Robert Schmitt, Thilo Werner, Bernhard Kuster, Ruedi Aebersold

Research output: Contribution to journalArticle

515 Citations (Scopus)

Abstract

Mass spectrometry-based quantitative proteomics has become an important component of biological and clinical research. Although such analyses typically assume that a protein's peptide fragments are observed with equal likelihood, only a few so-called 'proteotypic' peptides are repeatedly and consistently identified for any given protein present in a mixture. Using >600,000 peptide identifications generated by four proteomic platforms, we empirically identified >16,000 proteotypic peptides for 4,030 distinct yeast proteins. Characteristic physicochemical properties of these peptides were used to develop a computational tool that can predict proteotypic peptides for any protein from any organism, for a given platform, with >85% cumulative accuracy. Possible applications of proteotypic peptides include validation of protein identifications, absolute quantification of proteins, annotation of coding sequences in genomes, and characterization of the physical principles governing key elements of mass spectrometric workflows (e.g., digestion, chromatography, ionization and fragmentation).

Original languageEnglish (US)
Pages (from-to)125-131
Number of pages7
JournalNature biotechnology
Volume25
Issue number1
DOIs
StatePublished - Jan 5 2007
Externally publishedYes

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Proteomics
Peptides
Proteins
Molecular Sequence Annotation
Peptide Fragments
Fungal Proteins
Workflow
Chromatography
Ionization
Mass spectrometry
Digestion
Mass Spectrometry
Genes
Genome
Research

ASJC Scopus subject areas

  • Biotechnology
  • Bioengineering
  • Applied Microbiology and Biotechnology
  • Molecular Medicine
  • Biomedical Engineering

Cite this

Mallick, P., Schirle, M., Chen, S. S., Flory, M., Lee, H., Martin, D., ... Aebersold, R. (2007). Computational prediction of proteotypic peptides for quantitative proteomics. Nature biotechnology, 25(1), 125-131. https://doi.org/10.1038/nbt1275

Computational prediction of proteotypic peptides for quantitative proteomics. / Mallick, Parag; Schirle, Markus; Chen, Sharon S.; Flory, Mark; Lee, Hookeun; Martin, Daniel; Ranish, Jeffrey; Raught, Brian; Schmitt, Robert; Werner, Thilo; Kuster, Bernhard; Aebersold, Ruedi.

In: Nature biotechnology, Vol. 25, No. 1, 05.01.2007, p. 125-131.

Research output: Contribution to journalArticle

Mallick, P, Schirle, M, Chen, SS, Flory, M, Lee, H, Martin, D, Ranish, J, Raught, B, Schmitt, R, Werner, T, Kuster, B & Aebersold, R 2007, 'Computational prediction of proteotypic peptides for quantitative proteomics', Nature biotechnology, vol. 25, no. 1, pp. 125-131. https://doi.org/10.1038/nbt1275
Mallick, Parag ; Schirle, Markus ; Chen, Sharon S. ; Flory, Mark ; Lee, Hookeun ; Martin, Daniel ; Ranish, Jeffrey ; Raught, Brian ; Schmitt, Robert ; Werner, Thilo ; Kuster, Bernhard ; Aebersold, Ruedi. / Computational prediction of proteotypic peptides for quantitative proteomics. In: Nature biotechnology. 2007 ; Vol. 25, No. 1. pp. 125-131.
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