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Sterochemical studies on cyclic peptides-VIII. Conformational analysis of hydrogen bonded cyclohexaglycyl molecule with a centre of inversion symmetry

Manjula, G and Ramakrishnan, C and Sarathy, KP (1977) Sterochemical studies on cyclic peptides-VIII. Conformational analysis of hydrogen bonded cyclohexaglycyl molecule with a centre of inversion symmetry. In: Proceedings of the Indian Academy of Sciences Section A, 86 (5). pp. 443-454.

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Abstract

A study on the conformational aspects of cyclo-hexaglycyl having inversion symmetry has been made. The cyclic backbone has been assumed to have two internal 4→1 types of NH... O hydrogen bonds. This molecule has been found to take up two types of conformations designated asA* andB* having nearly the same energy values. The theoretical conformations have been compared with the conformations of cyclohexaglycyl hemihydrate observed in the crystal structure. Two molecules with an approximate inversion symmetry are close to the conformation of the typeB* and two other molecules with exact inversino symmetry correspond nearly to the typesB* andA*. comparison with the theoretically possible conformations of cyclohexaglycyl molecule with 2-fold symmetry has been made. The preference of inversion symmetry and preferred ranges ofψ for glycyl molecules is discussed.

Item Type: Journal Article
Additional Information: copyright of this article belongs to Indain Academy of Science.
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited: 15 Jan 2010 06:53
Last Modified: 19 Sep 2010 05:48
URI: http://eprints.iisc.ernet.in/id/eprint/24006

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