Authors: Daniel Kavan Marek Kuzma Karel Lemr Kevin A Schug Vladimir Havlicek
Publish Date: 2013/05/24
Volume: 24, Issue: 8, Pages: 1177-1184
Abstract
We have developed a de novo sequencing software tool CYCLONE and applied it for determination of cyclic peptides The program uses a nonredundant database of 312 nonribosomal building blocks identified to date in bacteria and fungi more than 230 additional residues in the database list were isobaric The software was used to fully characterize the tandem mass spectrum of several cyclic peptides and provide sequence tags The general strategy of the script was based on fragment ion precharacterization to accomplish unambiguous bion series assignments Showcase examples were a cyclic tetradepsipeptide beauverolide a cyclic hexadepsipeptide roseotoxin A a lassolike hexapeptide pseudacyclin A and a cyclic undecapeptide cyclosporin A The extent of ion scrambling in smaller peptides was as low as 5 of total ion current this demonstrated the feasibility of CYCLONE de novo sequencing The robustness of the script was also tested against database sets of various sizes and isotopecontaining data It can be downloaded from the http//msbiomedcascz/MSTools/ websiteThe authors acknowledge support for this work from the Ministry of Education Youth and Sports of the Czech Republic ME10013 IMIC institutional research concept RVO61388971 Charles University in Prague UNCE 204025/2012 and Czech Science Foundation P206/12/1150
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