8th Liquid Matter Conference September 6-10, 2011 Wien, Austria ...

Tue 611:23-14:00P2.79Effect of protein dynamics on biological proton transferreactionsSrabani Taraphder 11 Indian Institute of Technology Kharagpur, Department of Chemistry, Indian Institute ofTechnology Kharagpur 721302, Kharagpur, IndiaUnderstanding the effect of protein motions on the mechanism of proton transfer steps is crucialin bioenergetics and enzyme catalysed processes. Numerous experimental studies indicate theimportance of a histidine mediated pathway that shuttle proton(s) in and out of the active siteof the enzyme human carbonic anhydrase II. Using a combination of free energy simulations,transition path sampling and path search in protein conformational space, we shall present an indepthanalysis of alternative proton pathways contributing to the overall function of this highlyefficient enzyme.79