Based on the use of classical electrodynamics, here is presented a ratio expressing the relationship between the redistribution of electron density in visual rhodopsin exposed to light and appearance of deforming force that changes the configuration of opsin's α-helical subunits - the protein component of visual rhodopsin, i.e. the force causing an allosteric effect. To specify the obtained relation, quantum theory of molecules has been applied - a method of self-consistent field (SCF), in which we obtained more accurate relationship than classical between the shift of electron density and deforming force. Computer experiment has been held using HyperChem program, which is based on the quantum theory of molecules. The results obtaining during computer simulation (shown in the figures) illustrate the correlation between displacement of electron density in the system and change of spatial configuration (conformation shift) in the α-spiral subunit, allosteric effect.
allosteric effect, visual rhodopsin, conformation shift, rhodopsin activation
1. Shichida Y., Imai H. Visual pigment: G-protein-coupled receptor for light signals. Cell Mol Life Sci., 1998, vol. 54 (12), pp. 299-315.
2. Kalamkarov G.R., Ostrovskiy M.A. Molekulyarnye mehanizmy zritel'noy recepcii. M: Nauka, 2002, s.11-22. [(In Russ.)]
3. Skulachev V.P. Rasskazy o bioenergetike. 2 izd. Molodaya gvardiya,1982, 150 c. [Kalamkarov G.R., Ostrovsky M.A. Molecular mechanisms of visual reception. M: Nauka, 2002, 150 p. (In Russ.)]
4. Hodgkin A.L., Huxley A.F. A quantitative description of membrane current and its application to conduction and excitation in nerve. J. Physiol., 1952, no. 117, pp. 500-544.
5. Amstrong C.M., Bezanilla F. Charge movement associated with the opening and closing of the activation gates of the Na channels. J. Gen. Physiol., 1974, vol. 63 (5), pp. 533-552.
6. Vasilieva-Vashakmadze N.S. Physical mechanisms of biological proceses. LAP Lambert Ac., Pub., Saarbruken, 2014, 100 p.
7. Vasil'eva-Vashakmadze N.S. O vnutrenney vzaimosvyazi mezhdu allostericheskim, mezomernym i induktivnym effektami. Mater. dokl. V s'ezda Biofizikov Rossii, Rostov-na-Donu, 2015, t. 1, s. 72. [Vasilieva- Vashakmadze N.S. The intrinsic relationship between allosteric, mesomeric and inductive effects. Rep. Mater. V Congress of Russian Biophysicists. Rostov-na-Dony, 2015, vol. 1, p.72. (In Russ.)]
8. Vasilieva-Vashakmadze N.S., Toidze P.L., Khachatryan I., Gakhokidze R.A., Archvadze K. To computer model for some biological hypothesis. Report for Enlarged Session of the Seminar Mathem., Tbilisi, 2013, p. 23.
9. Mak-Vini R., Satklif B. Kvantovaya iehanika molekul. M: Mir, 1990, 381 s. [McWeeny R., Satkliffe B. Molecular quantum mechanics. M: Mir, 1990, 381p. (In Russ.)] 8.
