Automated data reduction for hydrogen/deuterium exchange experiments, enabled by high-resolution Fourier transform ion cyclotron resonance mass spectrometry.

Journal of the American Society for Mass Spectrometry
Sasa KazazicAlan G Marshall

Abstract

Mass analysis of proteolytic fragment peptides following hydrogen/deuterium exchange offers a general measure of solvent accessibility/hydrogen bonding (and thus conformation) of solution-phase proteins and their complexes. The primary problem in such mass analyses is reliable and rapid assignment of mass spectral peaks to the correct charge state and degree of deuteration of each fragment peptide, in the presence of substantial overlap between isotopic distributions of target peptides, autolysis products, and other interferant species. Here, we show that at sufficiently high mass resolving power (m/Delta m(50%) > or = 100,000), it becomes possible to resolve enough of those overlaps so that automated data reduction becomes possible, based on the actual elemental composition of each peptide without the need to deconvolve isotopic distributions. We demonstrate automated, rapid, reliable assignment of peptide masses from H/D exchange experiments, based on electrospray ionization FT-ICR mass spectra from H/D exchange of solution-phase myoglobin. Combined with previously demonstrated automated data acquisition for such experiments, the present data reduction algorithm enhances automation (and thus expands generality and applicabili...Continue Reading

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Citations

Nov 16, 2011·Journal of the American Society for Mass Spectrometry·Danny E MillerAntonio Artigues
Apr 25, 2012·Journal of the American Society for Mass Spectrometry·Piotr G FajerAlan G Marshall
Sep 11, 2013·Journal of the American Society for Mass Spectrometry·Miklos GuttmanKelly K Lee
Dec 20, 2008·Journal of the American Society for Mass Spectrometry·Hui-Min ZhangAlan G Marshall
Feb 23, 2012·Nature Communications·Xiaoling XuXiang-Lei Yang
Dec 25, 2012·Nature Structural & Molecular Biology·Alex J NobleScott M Stagg
May 4, 2011·Proceedings of the National Academy of Sciences of the United States of America·Pengfei FangMin Guo
May 3, 2012·The Journal of Biological Chemistry·Peter S LeePaul Schimmel
Dec 1, 2012·Molecular & Cellular Proteomics : MCP·Kyle M BurnsDavid C Schriemer
Aug 13, 2010·BMC Bioinformatics·Ernst AlthausHui-Min Zhang
Mar 29, 2014·Journal of the American Society for Mass Spectrometry·Robert LindnerAndreas Winkler
Nov 12, 2013·Nature Chemical Biology·Dae Gyu KimSunghoon Kim
Mar 19, 2013·Molecular Immunology·LeAnna N WillisonKenneth H Roux
Jul 24, 2012·Drug Discovery Today·Jingjie MoGuodong Chen
Sep 5, 2015·Journal of the American Society for Mass Spectrometry·Saša KazazićAgnieszka Bzowska
Jan 23, 2010·Protein Science : a Publication of the Protein Society·Hui-Min ZhangAlan G Marshall
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Jun 28, 2017·Proceedings of the National Academy of Sciences of the United States of America·Kyung-Tae ParkJoe Lutkenhaus
Sep 19, 2017·Structure·Shaoxiong TianHong Li

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