Publication detail

Mass Spectrometry-Based Structural Analysis of Cysteine-Rich Metal-Binding Sites in Proteins with MetaOdysseus R Software

PERIS-DÍAZ, M. GURÁŇ, R. ZÍTKA, O. ADAM, V. KRĘŻEL, A.

Original Title

Mass Spectrometry-Based Structural Analysis of Cysteine-Rich Metal-Binding Sites in Proteins with MetaOdysseus R Software

Type

journal article in Web of Science

Language

English

Original Abstract

Identification of metal-binding sites in proteins and understanding metalcoupled protein folding mechanisms are aspects of high importance for the structure-tofunction relationship. Mass spectrometry (MS) has brought a powerful adjunct perspective to structural biology, obtaining from metal-to-protein stoichiometry to quaternary structure information. Currently, the different experimental and/or instrumental setups usually require the use of multiple data analysis software, and in some cases, they lack some of the main data analysis steps (MS processing, scoring, identification). Here, we present a comprehensive data analysis pipeline that addresses charge-state deconvolution, statistical scoring, and mass assignment for native MS, bottom-up, and native top-down with emphasis on metal−protein complexes. We have evaluated all of the approaches using assemblies of increasing complexity, including free and chemically labeled proteins, from low- to high-resolution MS. In all cases, the results have been compared with common software and proved how MetaOdysseus outperformed them.

Keywords

metalloprotein, zinc, Cys-rich, mass spectrometry, R package

Authors

PERIS-DÍAZ, M.; GURÁŇ, R.; ZÍTKA, O.; ADAM, V.; KRĘŻEL, A.

Released

1. 1. 2021

Publisher

American Chemical Society

ISBN

1535-3893

Periodical

JOURNAL OF PROTEOME RESEARCH

Year of study

20

Number

1

State

United States of America

Pages from

776

Pages to

785

Pages count

10

URL

https://pubs.acs.org/doi/10.1021/acs.jproteome.0c00651

Full text in the Digital Library

http://hdl.handle.net/11012/195634

BibTex

@article{BUT165902,
  author="Manuel David {Peris-Díaz} and Roman {Guráň} and Ondřej {Zítka} and Vojtěch {Adam} and Artur {Krężel}",
  title="Mass Spectrometry-Based Structural Analysis of Cysteine-Rich Metal-Binding Sites in Proteins with MetaOdysseus R Software",
  journal="JOURNAL OF PROTEOME RESEARCH",
  year="2021",
  volume="20",
  number="1",
  pages="776--785",
  doi="10.1021/acs.jproteome.0c00651",
  issn="1535-3893",
  url="https://pubs.acs.org/doi/10.1021/acs.jproteome.0c00651"
}