+ Site Statistics
+ Search Articles
+ PDF Full Text Service
How our service works
Request PDF Full Text
+ Follow Us
Follow on Facebook
Follow on Twitter
Follow on LinkedIn
+ Subscribe to Site Feeds
Most Shared
PDF Full Text
+ Translate
+ Recently Requested

Assignment of protein disulphides by a computer method using mass spectrometric data



Assignment of protein disulphides by a computer method using mass spectrometric data



Febs Letters 393(2-3): 241-247



We designed a computer program for the assignment of protein disulphides using mass spectrometric data. All the theoretical linear peptides containing from one to three cysteines are generated on the basis of the protein sequence. Their combination ways are determined in order to create all the possible disulphide-bridged fragments containing from two to six cysteines and to calculate their molecular weight. One, two and three S-S bridges per linked fragment were considered, taking into account the possibility that the fragments contain unabridged residues. The mass data obtained from the spectral analysis of peptide mixtures of the digested protein are then associated to the fitting structures of disulphide-bridged peptides, giving rise to the primary output. This output can then be screened by using information on the specificity of the proteolytic agent(s) used and/or any further mass data provided by Edman degradation and/or carboxypeptidase treatment of the peptide mixtures. The need for such a computer aid is discussed and examples of application are given.

Please choose payment method:






(PDF emailed within 0-6 h: $19.90)

Accession: 008195371

Download citation: RISBibTeXText

PMID: 8814298

DOI: 10.1016/0014-5793(96)00894-0


Related references

Application of a fast sorting algorithm to the assignment of mass spectrometric cross-linking data. Proteomics 14(17-18): 1987-1989, 2014

Mass spectrometric data processing using a time-shared computer. J Sci Instrum 43(9): 662-664, 1966

Programs for spectrum classification and screening of gas chromatographic-mass spectrometric data on a laboratory computer. Analytical Chemistry (Washington, DC) 47(3): 419-424, 1975

PTMSearchPlus: software tool for automated protein identification and post-translational modification characterization by integrating accurate intact protein mass and bottom-up mass spectrometric data searches. Analytical Chemistry 81(20): 8387-8395, 2009

Megavariate data analysis of mass spectrometric proteomics data using latent variable projection method. Proteomics 3(9): 1680-1686, 2003

MASSFORM: a computer program for the assignment of elemental compositions to high resolution mass spectral data. Biomedical Mass Spectrometry 4(4): 203-208, 1977

Computer program for post translational modification site assignment in proteins using fast atom bombardment mass spectral data. Biomedical and Environmental Mass Spectrometry 17(4): 287-292, 1988

Examination of segmental average mass spectra from liquid chromatography-tandem mass spectrometric (LC-MS/MS) data enables screening of multiple types of protein modifications. Analytica Chimica Acta 892: 115-122, 2015

Aspects of ideal mass spectrometric data for protein characterization. Abstracts of Papers American Chemical Society 225(1-2): ANYL 279, 2003

Computer-assisted mass spectrometric analysis of naturally occurring and artificially introduced cross-links in proteins and protein complexes. Febs Journal 273(2): 281-291, 2006

Prediction of posttranslational modifications using intact-protein mass spectrometric data. Analytical Chemistry 76(2): 276-282, 2004

Multivariate approach for protein identification based on mass spectrometric data. Statistical Methods in Medical Research 22(6): 553-566, 2013

Assignment of protein interactions from affinity purification/mass spectrometry data. Journal of Proteome Research 11(3): 1462-1474, 2012

Development of simultaneous gas chromatography-mass spectrometric and liquid chromatography-electrospray ionization mass spectrometric determination method for the new designer drugs, N-benzylpiperazine (BZP), 1-(3-trifluoromethylphenyl)piperazine (TFMPP) and their main metabolites in urine. Journal of Chromatography. B Analytical Technologies in the Biomedical and Life Sciences 819(2): 315-322, 2005

Preprocessing of tandem mass spectrometric data to support automatic protein identification. Proteomics 3(8): 1597-1610, 2003