Amino acid recognition for automatic resonance assignment of intrinsically disordered proteins

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• 作者：Alessandro Piai ; Leonardo Gonnelli ; Isabella C. Felli…
• 关键词：Intrinsically disordered proteins ; Automatic assignment ; Amino acid ; selective experiments ; 13C direct ; detection NMR ; High ; dimensional NMR experiment ; Non ; uniform sampling ; Compressed sensing ; Sparse multidimensional Fourier transform
• 刊名：Journal of Biomolecular NMR
• 出版年：2016
• 出版时间：March 2016
• 年：2016
• 卷：64
• 期：3
• 页码：239-253
• 全文大小：641 KB
• 刊物类别：Physics and Astronomy
• 刊物主题：Physics
  Biophysics and Biomedical Physics
  Polymer Sciences
  Biochemistry
  
• 出版者：Springer Netherlands
• ISSN：1573-5001

文摘

Resonance assignment is a prerequisite for almost any NMR-based study of proteins. It can be very challenging in some cases, however, due to the nature of the protein under investigation. This is the case with intrinsically disordered proteins, for example, whose NMR spectra suffer from low chemical shifts dispersion and generally low resolution. For these systems, sequence specific assignment is highly time-consuming, so the prospect of using automatic strategies for their assignment is very attractive. In this article we present a new version of the automatic assignment program TSAR dedicated to intrinsically disordered proteins. In particular, we demonstrate how the automatic procedure can be improved by incorporating methods for amino acid recognition and information on chemical shifts in selected amino acids. The approach was tested in silico on 16 disordered proteins and experimentally on α-synuclein, with remarkably good results.