Brownian dynamics of cytochrome c and cytochrome c peroxidase association.
Brownian dynamics computer simulations of the diffusional association of electron transport proteins cytochrome c (cyt c) and cytochrome c peroxidase (cyt c per) were performed. A highly detailed and realistic model of the protein structures and their electrostatic interactions was used that was based on an atomic-level spatial description. Several structural features played a role in enhancing and optimizing the electron transfer efficiency of this reaction. Favorable electrostatic interactions facilitated long-lived nonspecific encounters between the proteins that allowed the severe orientational criteria for reaction to be overcome by rotational diffusion during encounters. Thus a "reduction-in-dimensionality" effect operated. The proteins achieved plausible electron transfer orientations in a multitude of electrostatically stable encounter complexes, rather than in a single dominant complex.
Northrup
S H
SH
Department of Chemistry, Tennessee Technological University, Cookeville 38505.
Boles
J O
JO
Reynolds
J C
JC
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003198:Computer Simulation; D003574:Cytochrome c Group; D003578:Cytochrome-c Peroxidase; D004058:Diffusion; D004563:Electrochemistry; D004579:Electron Transport; D008956:Models, Chemical; D010544:Peroxidases
D003574:Cytochrome c Group; D010544:Peroxidases; D003578:Cytochrome-c Peroxidase