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The conformation of malformin A (1982)

Hall, David ; Lyons, Paul John ; Pavitt, Nicola ; [et al.]

New York, NY [u.a.] : Wiley-Blackwell

Journal of Computational Chemistry 3 (1982), S. 89-94

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ISSN: 0192-8651

Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology , Computer Science

Notes: The conformation of the cyclic pentapeptide malformin A has been deduced by systematically generating possible models for the molecule, and minimizing the conformation energy of each. Only one of the low-energy solutions is fully consistent with the reported CD and NMR spectra, and this is the proposed model. The disulfide ring linking adjacent cystine residues is highly strained, as has been predicted from the S—S vibration frequency. The conformation of the backbone, but not that of the disulfide ring, is similar to a model previously proposed.

Additional Material: 2 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/jcc.540030114

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