The Biomolecular NMR Training Center

From NMR Data to Protein Structure - Course program


Course program

Day 1

  • Introduction to protein assignment and structure calculation:
    • General strategy
    • Sequential assignment
    • Side chain assignment
  • Introduction to CCPN Analysis:
    • Core concepts
    • Navigation and basic commands
    • Setting up the course project
    • Customising the project

Day 2

  • 2D 15N-HSQC peak picking
  • Assigning root resonances
  • 3D peak picking based on 2D root peaks
  • Assigning non root resonances
  • Identifying spin system types
  • Navigating in hCCH-Tocsy spectra
  • Assigning side chain resonances to atom types

Day 3

  • Manual sequential assignment
  • Aromatic side chain assignment
  • Completion of side chain assignment

Day 4

  • Mapping assignments to NOESY spectra
  • Peak picking of NOESY spectra
  • Preparing data for structure calculation
  • Setting up and running a structure calculation with CYANA

Day 5

  • Evaluation of the structure calculations
  • Introduction to the YASARA structure viewer: Structure inspection
  • General evaluation and questions