HDX-Viewer: interactive 3D visualization of hydrogen-deuterium exchange data

Bioinformatics. 2019 Dec 15;35(24):5331-5333. doi: 10.1093/bioinformatics/btz550.

Abstract

Summary: With the advent of fully automated sample preparation robots for Hydrogen-Deuterium eXchange coupled to Mass Spectrometry (HDX-MS), this method has become paramount for ligand binding or epitope mapping screening, both in academic research and biopharmaceutical industries. However, bridging the gap between commercial HDX-MS software (for raw data interpretation) and molecular viewers (to map experiment results onto a 3D structure for biological interpretation) remains laborious and requires simple but sometimes limiting coding skills. We solved this bottleneck by developing HDX-Viewer, an open-source web-based application that facilitates and quickens HDX-MS data analysis. This user-friendly application automatically incorporates HDX-MS data from a custom template or commercial HDX-MS software in PDB files, and uploads them to an online 3D molecular viewer, thereby facilitating their visualization and biological interpretation.

Availability and implementation: The HDX-Viewer web application is released under the CeCILL (http://www.cecill.info) and GNU LGPL licenses and can be found at https://masstools.ipbs.fr/hdx-viewer. The source code is available at https://github.com/david-bouyssie/hdx-viewer.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Deuterium
  • Deuterium Exchange Measurement*
  • Hydrogen
  • Imaging, Three-Dimensional
  • Proteins

Substances

  • Proteins
  • Hydrogen
  • Deuterium