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HDXFinder: Automated Analysis and Data Reporting of Deuterium/Hydrogen Exchange Mass Spectrometry

Authors
  • Miller, Danny E.1
  • Prasannan, Charulata B.1
  • Villar, Maria T.1
  • Fenton, Aron W.1
  • Artigues, Antonio1
  • 1 The University of Kansas Medical Center, Biochemistry and Molecular Biology, MS 3030, 3901 Rainbow Blvd., Kansas City, KS, 66160, USA , Kansas City (United States)
Type
Published Article
Journal
Journal of the American Society for Mass Spectrometry
Publisher
Springer-Verlag
Publication Date
Nov 15, 2011
Volume
23
Issue
2
Pages
425–429
Identifiers
DOI: 10.1007/s13361-011-0234-5
Source
Springer Nature
Keywords
License
Yellow

Abstract

Hydrogen/deuterium exchange in combination with mass spectrometry (H/D MS) is a sensitive technique for detection of changes in protein conformation and dynamics. However, wide application of H/D MS has been hindered, in part, by the lack of computational tools necessary for efficient analysis of the large data sets associated with this technique. We report a novel web-based application for automatic analysis of H/D MS experimental data. This application relies on the high resolution of mass spectrometers to extract all isotopic envelopes before correlating these envelopes with individual peptides. Although a fully automatic analysis is possible, a variety of graphical tools are included to aid in the verification of correlations and rankings of the isotopic peptide envelopes. As a demonstration, the rate constants for H/D exchange of peptides from rabbit muscle pyruvate kinase are mapped onto the structure of this protein.

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