Scrutinizing MHC-I binding peptides and their limits of variation

PLoS Comput Biol. 2013;9(6):e1003088. doi: 10.1371/journal.pcbi.1003088. Epub 2013 Jun 6.

Abstract

Designed peptides that bind to major histocompatibility protein I (MHC-I) allomorphs bear the promise of representing epitopes that stimulate a desired immune response. A rigorous bioinformatical exploration of sequence patterns hidden in peptides that bind to the mouse MHC-I allomorph H-2K(b) is presented. We exemplify and validate these motif findings by systematically dissecting the epitope SIINFEKL and analyzing the resulting fragments for their binding potential to H-2K(b) in a thermal denaturation assay. The results demonstrate that only fragments exclusively retaining the carboxy- or amino-terminus of the reference peptide exhibit significant binding potential, with the N-terminal pentapeptide SIINF as shortest ligand. This study demonstrates that sophisticated machine-learning algorithms excel at extracting fine-grained patterns from peptide sequence data and predicting MHC-I binding peptides, thereby considerably extending existing linear prediction models and providing a fresh view on the computer-based molecular design of future synthetic vaccines. The server for prediction is available at http://modlab-cadd.ethz.ch (SLiDER tool, MHC-I version 2012).

Publication types

  • Research Support, Non-U.S. Gov't
  • Validation Study

MeSH terms

  • Animals
  • Artificial Intelligence
  • Computational Biology
  • Histocompatibility Antigens Class I / metabolism*
  • Mice
  • Peptides / metabolism*
  • Protein Binding

Substances

  • Histocompatibility Antigens Class I
  • Peptides

Grants and funding

This research was supported by the ETH Zürich and the Swiss National Science Foundation (SNF, grant 205321-134783 to GS). PW was supported by the Deutsche Forschungsgemeinschaft (DFG, SFB 852). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.