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Digitale Medien

A 2D NMR study of the internal flexibility of the antifungal peptide stendomycin (1990)

Simorre, J. P. ; Genest, D. ; Caille, A. ; [weitere]

Springer

European biophysics journal 18 (1990), S. 309-316

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ISSN: 1432-1017

Schlagwort(e): Molecular dynamics ; 2-D NMR ; Correlation times ; Structure determination ; Antifungal

Quelle: Springer Online Journal Archives 1860-2000

Thema: Biologie , Physik

Notizen: Abstract A 2-D 1H NMR study (NOESY, COSY, HOHAHA and ROESY experiments) of the antifungal peptide stendomycin is presented. The variation of the NOESY cross peak intensities is measured as a function of temperature in order to discriminate between constant and fluctuating interproton distances. It is shown that among 71 NOESY cross peaks, only 12 correspond to well defined interproton distances and their correlation time is determined. The other cross peaks cannot be translated accurately in terms of distances owing to internal molecular motions. 1H}−13C nOe measurements confirm the internal mobility of the molecule. Finally a flexibility map of stendomycin can be established.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1007/BF00196921

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Digitale Medien

Method for evaluating the reliability of distances and rotational correlation times deduced from 2D 1H NMR NOESY experiments (1990)

Genest, D. ; Simorre, J. P.

Chichester : Wiley-Blackwell

Organic Magnetic Resonance 28 (1990), S. 21-24

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ISSN: 0749-1581

Schlagwort(e): NMR ; Nuclear Overhauser effect ; Molecular dynamics ; Rotational correlation times ; Molecular modelling ; Chemistry ; Analytical Chemistry and Spectroscopy

Quelle: Wiley InterScience Backfile Collection 1832-2000

Thema: Chemie und Pharmazie

Notizen: An experimental method is proposed which selects from all the inter-proton distances r determined from two-dimensional NMR NOESY experiments, those which do not depend on the internal motions of the molecule under investigation. Only these distances are quantitatively reliable for modelling purposes, owing to (1/r6) averaging and the possible correlation between r and the orientation of two protons as a consequence of the molecular Brownian internal dynamics. All the other distances must be used only qualitatively. Two examples of the application of this method to the lipopeptide stendomycin are given.

Zusätzliches Material: 2 Ill.