Unusual Temperature Behavior of Stability of Proteinase K Dimer Formed in Crystallization Solution Defined by Molecular Dynamics

It is known that protein dimers form in a solution before proteinase K crystallization. Simulations of the dimer, i.e., precursor cluster crystal, at different temperatures, show molecular dynamics methods make it possible to trace spatial and temporal changes internal structure crystal-forming dimer when heated temperatures far from denaturation. Based on results modeling, stability was evaluated 19 (from 20 80 °C). An anomalous behavior found above 60 °C—a special temperature for Parengyodontium album) enzyme exhibits its maximal activity.