Probing the Electron Capture Dissociation Mass Spectrometry of Phosphopeptides with Traveling Wave Ion Mobility Spectrometry and Molecular Dynamics Simulations

Overview

Journal J Am Soc Mass Spectrom

Specialty Chemistry

Date 2015 Apr 3

PMID 25832028

Citations 8

Authors

Doyong Kim

Pei-Jing Pai

Andrew J Creese

Andrew W Jones

David H Russell

Helen J Cooper

Affiliations

Soon will be listed here.

Abstract

Electron capture dissociation mass spectrometry offers several advantages for the analysis of peptides, most notably that backbone c and z fragments typically retain labile modifications such as phosphorylation. We have shown previously that, in some cases, the presence of phosphorylation has a deleterious effect on peptide sequence coverage, and hypothesized that intramolecular interactions involving the phosphate group were preventing separation of backbone fragments. In the present work, we seek to rationalize the observed ECD behavior through a combination of ECD of model peptides, traveling wave ion mobility mass spectrometry and molecular dynamics simulations. The results suggest that for doubly protonated ions of phosphopeptide APLpSFRGSLPKSYVK a salt-bridge structure is favored, whereas for the doubly-protonated ions of APLSFRGSLPKpSYVK ionic hydrogen bonds predominate.

Citing Articles

Multimodal Tandem Mass Spectrometry Techniques for the Analysis of Phosphopeptides.

Paris J, Theisen A, Marzullo B, Haris A, Morgan T, Barrow M J Am Soc Mass Spectrom. 2022; 33(7):1126-1133.

PMID: 35604791 PMC: 9264387. DOI: 10.1021/jasms.1c00353.

Effect of Phosphorylation on the Collision Cross Sections of Peptide Ions in Ion Mobility Spectrometry.

Ogata K, Chang C, Ishihama Y Mass Spectrom (Tokyo). 2021; 10:A0093.

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Structural Analysis of 14-3-3-ζ-Derived Phosphopeptides Using Electron Capture Dissociation Mass Spectrometry, Traveling Wave Ion Mobility Spectrometry, and Molecular Modeling.

Simmonds A, Lopez-Clavijo A, Winn P, Russell D, Styles I, Cooper H J Phys Chem B. 2019; 124(3):461-469.

PMID: 31859508 PMC: 7241667. DOI: 10.1021/acs.jpcb.9b08506.

Replacing H by Na or K in phosphopeptide anions and cations prevents electron capture dissociation.

Schneeberger E, Breuker K Chem Sci. 2018; 9(37):7338-7353.

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Phosphopeptide Fragmentation and Site Localization by Mass Spectrometry: An Update.

Potel C, Lemeer S, Heck A Anal Chem. 2018; 91(1):126-141.

PMID: 30457327 PMC: 6322148. DOI: 10.1021/acs.analchem.8b04746.

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