ИСТИНА

Formation of plastocyanin - cytochrome f complex and electron transfer in the complex is an essential part of photosynthetic electron transport chain. We simulated protein-protein complex formation by Brownian and molecular dynamics methods and identified intermediate (metastable) states of this process using hierarchical cluster analysis. We obtained 2200 energetically favorable plastocyanin – cytochrome f encounter complexes with the energy of electrostatic attraction more than 8 kT by rigid body Brownian dynamics. These complexes were analyzed by hierarchical cluster analysis method and divided into two clearly separated groups containing 58% and 42% of structures.