SAGA: Rapid automatic mainchain NMR assignment for large proteins

Gordon M. Crippen, Aikaterini Rousaki, Matthew Revington, Yongbo Zhang, Erik R.P. Zuiderweg

Research output: Contribution to journalArticle

30 Scopus citations

Abstract

Here we describe a new algorithm for automatically determining the mainchain sequential assignment of NMR spectra for proteins. Using only the customary triple resonance experiments, assignments can be quickly found for not only small proteins having rather complete data, but also for large proteins, even when only half the residues can be assigned. The result of the calculation is not the single best assignment according to some criterion, but rather a large number of satisfactory assignments that are summarized in such a way as to help the user identify portions of the sequence that are assigned with confidence, vs. other portions where the assignment has some correlated alternatives. Thus very imperfect initial data can be used to suggest future experiments.

Original languageEnglish (US)
Pages (from-to)281-298
Number of pages18
JournalJournal of Biomolecular NMR
Volume46
Issue number4
DOIs
StatePublished - Apr 1 2010

Keywords

  • Automatic assignment
  • Generic spin system
  • Large proteins
  • Triple resonance

ASJC Scopus subject areas

  • Biochemistry
  • Spectroscopy

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