PXD019501-1

PXD019501 is an original dataset announced via ProteomeXchange.

Title	Exploring the diversity of cysteine-rich natural product peptides via MS/MS fingerprint ions
Description	Stable and commonly bioactive cysteine-rich peptides (CRPs) have are typically discovered via mass shift analysis. However, the accurate assessment of unique CRP species in a given botanical species is often challenged by same mass species, post-translational modifications or modifications derived from sample handling, and incomplete MS2 fragmentation. Mass spectral fingerprint ions can be leveraged to gain additional information about a mass species prior to full sequence characterization and with only poor quality MS2 spectra. Herein we identify sets of mass spectral fingerprint ions characteristic of the CRP cyclotide family, which may indicate a mass belongs to a specific cyclotide subfamily, and “tell-tale” ions that are of importance when discriminating putative cyclotide species, including common oxidation and over-alkylation ions observed experimentally. Cyclotide-containing V. communis material is used as proof-of-principle, where experimental cyclotide fingerprint ions are explored. Fingerprint ions derived from a third type of CRP, the trypsin inhibitors, are assessed in the gourd L. siceraria. Combining mass shift analysis with the identification of prominent MS2 fingerprint ions is then used to identify three novel CRPs. We demonstrate that abundant mass spectral fingerprint ions can be used to quickly discern masses of interest in complex matrices and masses that are already characterized, aiding prioritization of the most promising novel mass species in a natural product sample for characterization.
HostingRepository	PRIDE
AnnounceDate	2020-09-04
AnnouncementXML	Submission_2020-09-04_04:45:31.xml
DigitalObjectIdentifier	https://dx.doi.org/10.6019/PXD019501
ReviewLevel	Peer-reviewed dataset
DatasetOrigin	Original dataset
RepositorySupport	Supported dataset by repository
PrimarySubmitter	Leslie Hicks
SpeciesList	scientific name: Lagenaria siceraria; NCBI TaxID: 3668; scientific name: Viola ; NCBI TaxID: 13757;
ModificationList	Deamidated; Oxidation; Acetyl; Carbamidomethyl; iodoacetamide derivatized residue
Instrument	TripleTOF 5600

Revision	Datetime	Status	ChangeLog Entry
0	2020-06-01 17:31:26	ID requested
⏵ 1	2020-09-04 04:45:32	announced

Parsley NC, Williams OL, Hicks LM, Exploring the Diversity of Cysteine-Rich Natural Product Peptides via MS/MS Fingerprint Ions. J Am Soc Mass Spectrom, 31(9):1833-1843(2020) [pubmed]

submitter keyword: Viola communis, Lagenaria siceraria, LC-MS/MS, Fingerprint Ions, Cyclotides

Leslie M. Hicks
contact affiliation	Department of Chemistry, University of North Carolina at Chapel Hill, NC, USA
contact email	lmhicks@unc.edu
lab head
Leslie Hicks
contact affiliation	University of North Carolina at Chapel Hill
contact email	lmhicks@unc.edu
dataset submitter

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PRIDE project URI

• PRIDE
  1. PXD019501
     1. Label: PRIDE project
     2. Name: Exploring the diversity of cysteine-rich natural product peptides via MS/MS fingerprint ions