PHYSICAL MODEL OF ALLOSTERIC MECHANISM OF THE EFFECT OBSERVED IN THE VISUAL RHODOPSIN WHEN EXPOSED TO LIGHT
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.