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Protein NMR Techniques

Volume 278 of the series Methods in Molecular Biology™ pp 353-378

Automated NMR Structure Calculation With CYANA

  • Peter GüntertAffiliated withRIKEN Genomic Sciences Center

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Abstract

This chapter gives an introduction to automated nuclear magnetic resonance (NMR) structure calculation with the program CYANA. Given a sufficiently complete list of assigned chemical shifts and one or several lists of cross-peak positions and columes from two-, three-, or four-dimensional nuclear Overhauser effect spectroscopy (NOESY) spectra, the assignment of the NOESY cross-peaks and the three-dimensional structure of the protein in solution can be calculated automatically with CYANA.

Key Words

Protein structure NMR structure determination conformational constraints automated structure determination automated assignment NOESY assignment CYANA program network anchoring constraint combination torsion angle dynamics