Studies of proton translocations in biological systems: simulating proton transport in carbonic anhydrase by EVB-based models.

ABSTRACT: Proton transport (PTR) processes play a major role in bioenergetics and thus it is important to gain a molecular understanding of these processes. At present the detailed description of PTR in proteins is somewhat unclear and it is important to examine different models by using well-defined experimental systems. One of the best benchmarks is provided by carbonic anhydrase III (CA III), because this is one of the few systems where we have a clear molecular knowledge of the rate constant of the PTR process and its variation upon mutations. Furthermore, this system transfers a proton between several water molecules, thus making it highly relevant to a careful examination of the "proton wire" concept. Obtaining a correlation between the structure of this protein and the rate of the PTR process

SUBMITTER: Braun-Sand S 

PROVIDER: S-EPMC1304648 | biostudies-literature | 2004 Oct

REPOSITORIES: biostudies-literature