SYMMETRY BREAKAGE IN THE ELECTRONIC-STRUCTURE OF BACTERIAL REACTION CENTERS

Extensive quantum calculations of the INDO/S type are performed for th e prosthetic groups of the reaction center of Rps. viridis including n eighboring residues. The effect of the electrostatic field of the whol e reaction center on the location of the charge transfer states releva nt for the initial charge separation is evaluated. It is suggested tha t a readjustment of the acetyl group of the special pair located at P- M could play a decisive role as reaction coordinate for the very first charge separation.