Simultaneous determination of one‐ and two‐bond scalar and residual dipolar couplings between  13 C′,  13 C α  and  15 N spins in proteins | Zendy

Puttonen Eetu | Zendy; Tossavainen Helena | Zendy; Permi Perttu | Zendy

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Simultaneous determination of one‐ and two‐bond scalar and residual dipolar couplings between 13 C′, 13 C α and 15 N spins in proteins

Author(s) -

Puttonen Eetu,

Tossavainen Helena,

Permi Perttu

Publication year - 2006

Publication title -

magnetic resonance in chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.483

H-Index - 72

eISSN - 1097-458X

pISSN - 0749-1581

DOI - 10.1002/mrc.1836

Subject(s) - chemistry , residual dipolar coupling , scalar (mathematics) , spins , dipole , coupling constant , spectral line , residual , coupling (piping) , dispersion (optics) , analytical chemistry (journal) , physics , particle physics , quantum mechanics , condensed matter physics , algorithm , mechanical engineering , geometry , mathematics , organic chemistry , computer science , engineering , chromatography

Four simple and sensitive HNCO‐based methods for measurement of 1 J C′C α, 1 J NC αand 2 J NC αcoupling constants in protein main chains are presented. Three of these experiments enable the simultaneous measurement of 1 J C′C α, 1 J NC αand 2 J NC αcouplings. Exploitation of the E.COSY principle provides excellent dispersion of cross peaks in the resulting 3D spectra. The couplings can be retrieved with good accuracy from peak‐to‐peak separations. Karplus parameterizations are provided for 1 J NC αand 2 J NC α, obtained from a nearly complete set of couplings of human ubiquitin. In addition, feasibility of the proposed methodology for measuring several residual dipolar couplings (RDCs) simultaneously is assessed. Copyright © 2006 John Wiley & Sons, Ltd.

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