THEORETICAL CONFORMATIONAL ANALYSIS OF OXYTOCIN MOLECULE
- 1 April 1979
- journal article
- research article
- Published by Wiley in International Journal of Peptide and Protein Research
- Vol. 13 (4) , 363-373
- https://doi.org/10.1111/j.1399-3011.1979.tb01894.x
Abstract
The total semi-empirical conformational analysis of the oxytocin molecule was carried out. The 2 main types of stable structures of the cyclic moiety backbone and the great lability of the tail were revealed. The optimal spacing of the cyclic moiety side was found for every backbone structure. The calculation results are in good agreement with the data of physico-chemical investigations. Among the set of stable molecule structures reported are structures with a .beta.-turn conformation of the cyclic moiety backbone and without closer spacing of the cyclic moiety and the tail, as well as structures with closely spaced N- and C-terminal parts which, however, lack a .beta.-turn in the cyclic moiety.Keywords
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