Utilities

• » NMR related

  • Co-ANAFOR (Ver. 201218)

    • Co-ANAFOR is a method for the reconstruction of the unobserved data in multidimensional NMR from limited experimentally observed data.
    • In Co-ANAFOR, chemical shifts of the signals determined from another high resolution multidimensional NMR data are utilized, and the peak height ratios can be accurately determined even for the crowded data like 2D spectra of proteins.
    • See the reference for details of the theories and comparison with other methods.

    Required programs

    • Bruker Topspin
    • ANACONDA (Python supplemented with Numpy & Scipy)
    • NMR spectra analysis softwares (ex. Sparky)

    Downloading scripts of Co-ANAFOR

    • for Python3.X
      • 2D spectra reconstruction：201218python3_COANAFOR2D.py
      • 3D spectra reconstruction (F2 axis only)：201220python3_COANAFOR3D.py
    • for Python2.X
      • 2D spectra reconstruction：201217python2_COANAFOR2D.py
      • 3D spectra reconstruction (F2 axis only)：201219python2_COANAFOR3D.py

    Downloading the manual

    • Click here to download the CoANAFOR manual.
  • SARS-COV2-NMR DB

    As part of the AMED project "Project for Developing Technologies for Addressing the Novel Coronavirus Disease and Other Infectious Diseases “, Cellular and Molecular Bioengineering Research Institute @AIST have successfully expressed and purified 27 of the 45 structural domains in the SARS-CoV-2 proteins, using a cell-free expression system. These cover more than 50% of ORF in the virus. We also succeeded to obtain atypical proteins such as ORF3b and ORF9b.
    SARS-COV2-NMR DB retains 2D NMR spectra of 22 structural domains (Table I), including 3 non-canonical sequences (Table II, Ref.1), which ensure the structural homogeneity and quality of the purified proteins. The spectra also enable us to analyze the interaction and structure of the SARS-CoV-2 proteins at atomic level, which will be useful for drug developments and basic biological research.
    (The administration was moved to U-Tokyo from 2025)

    ¹³C Ile, Leu, Met, Val methyl TROSY spectra (Click to see each spectrum ※PC only)
    
    

    S protein

    WT E484K N501Y

    ¹⁵N TROSY spectra (Click to see each spectrum ※PC only)
    
    

    S protein

    WT E484K N501Y

    Materials and methods
    References

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