The hinge-bending mode in lysozyme

摘要: A COMPLETE description of an enzyme requires a knowledge its structure and the dynamics function. From crystal structures enzymes enzyme–inhibitor complexes known chemistry model systems, it has been possible in some cases to draw reasonable inferences concerning mechanisms enzyme-catalysed reactions. Little done so far, however, supplement such essentially static results by investigation reaction dynamics. This understanding internal motions enzyme, as well those substrate, since both are likely be essential Here we present theoretical study low frequency vibration involving two globular lobes lysozyme between which cleft containing active site is located1. Any motion this could play part catalytic activity; fact, atom displacements up 0.75 found comparison free enzyme-inhibitor complex indicate that closed down latter2. The force constant for bending corresponding opening closing obtained from empirical energy functions3. Because protein surface moves appreciably during vibration, damping effects resulting viscous dissipation solvent included calculation4,5.