Chandrasekaran, R and Lakshminarayanan, AV and Mohanakrishnan, P and Ramachandran, GN (1973) Conformation of Cyclic Dipeptides from Empirical Energy Calculations. In: Biopolymers, 12 (6). pp. 1421-1425.
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Abstract
Empirical energy calculations on cyclo-Gly-X with X- Phe, Tyr, Val, and Leu as a function of the side-chain torsion angles X indicate that the conformation of minimum energy are characterized by $X^1$ = 60 °, $X^2$ = 90 ° for Phe and Try, $X^1$ = -60 ° for Val and $X^1$ = -60 °, $X^2$ = 180 ° and $X^1$ = 60 ° and $X^2$ = 150 ° for Leu. The minimum energy conformation of cyclo-Gly-Phe and cyclo-Gly-Val have the side chains of Phe and Val stacked over the poperazinedione ring as suggested by NMR and found for cyclo-Gly-Tyr crystal structure. In contrast, the Leu side chain is expected to exist in an extended or a quasi-folded form.
Item Type: | Journal Article |
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Publication: | Biopolymers |
Publisher: | John Wiley & Sons, Inc. |
Additional Information: | The copyright belongs to John Wiley & Sons, Inc. |
Department/Centre: | Division of Biological Sciences > Molecular Biophysics Unit |
Date Deposited: | 19 Jan 2007 |
Last Modified: | 19 Sep 2010 04:21 |
URI: | http://eprints.iisc.ac.in/id/eprint/4051 |
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