Method of determining protein conformations by the two-dimensional nuclear Overhauser enhancement spectroscopy data.

Journal of Biomolecular Structure & Dynamics
S A ShermanA A Akhrem

Abstract

A method is suggested to determine the most probable values of the angles phi, psi of the protein backbone by the data on the availability and absence of d connectivities in the two-dimensional nuclear Overhauser enhancement spectra. In view of this, the dependences of the proton-proton distances in dipeptide units of L-amino acid residues on the dihedral angles phi, psi, chi1 are considered and the conformational states of amino acid residues of the proteins with the known spatial structure are analysed statistically. The potentialities of the method are assessed with the aid of model spectral nuclear magnetic resonance (NMR) parameters obtained from the X-ray data for the bovine pancreatic trypsin inhibitor and avian pancreatic polypeptide. It is shown that the developed procedure of structural interpretation of the NMR data allows one to correctly reproduce the local conformation of the protein backbone. The obtained backbone conformation may serve as a starting point to build and refine molecular three-dimensional structure.

References

Nov 1, 1977·European Journal of Biochemistry·F C BernsteinM Tasumi
Jul 1, 1981·Proceedings of the National Academy of Sciences of the United States of America·T L BlundellC W Wu

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Citations

Jan 1, 1993·Progress in Biophysics and Molecular Biology·S A Sherman, M E Johnson
Dec 1, 1995·Journal of Biomolecular Structure & Dynamics·S A ShermanR W Ruddon
Jul 21, 1998·Journal of Biomolecular Structure & Dynamics·A M Andrianov
Jan 1, 1989·Critical Reviews in Biochemistry and Molecular Biology·G M Clore, A M Gronenborn
Dec 26, 2008·Journal of Biomolecular Structure & Dynamics·Alexander M Andrianov
Jul 9, 2009·Journal of Biomolecular Structure & Dynamics·Alexander M Andrianov, Ivan V Anishchenko
Jan 17, 2003·Journal of Biomolecular Structure & Dynamics·Alexander M Andrianov, Yuri A Sokalov
Dec 25, 2003·Journal of Biomolecular Structure & Dynamics·Alexander M Andrianov, Yuri A Sokolov
May 25, 2002·Journal of Biomolecular Structure & Dynamics·Alexander M Andrianov
Oct 13, 2005·Journal of Biomolecular Structure & Dynamics·A M Andrianov
Aug 20, 2004·Journal of Biomolecular Structure & Dynamics·Alexander M Andrianov
May 19, 2007·Journal of Biomolecular Structure & Dynamics·A M Andrianov, V G Veresov
Apr 1, 1992·International Journal of Peptide and Protein Research·H JaspersS Salvadori

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