MSX-3D: a tool to validate 3D protein models using mass spectrometry

Bioinformatics. 2008 Dec 1;24(23):2782-3. doi: 10.1093/bioinformatics/btn510. Epub 2008 Sep 30.

Abstract

Motivation: The technique of chemical cross-linking followed by mass spectrometry has proven to bring valuable information about the protein structure and interactions between proteic subunits. It is an effective and efficient way to experimentally investigate some aspects of a protein structure when NMR and X-ray crystallography data are lacking.

Results: We introduce MSX-3D, a tool specifically geared to validate protein models using mass spectrometry. In addition to classical peptides identifications, it allows an interactive 3D visualization of the distance constraints derived from a cross-linking experiment.

Availability: Freely available at http://proteomics-pbil.ibcp.fr

MeSH terms

  • Computer Simulation
  • Databases, Protein
  • Mass Spectrometry / methods*
  • Models, Molecular
  • Protein Conformation*
  • Proteins / chemistry
  • Proteomics / methods
  • Software*

Substances

  • Proteins