The entropic contributions in vitamin B12 enzymes still reflect the electrostatic paradigm.

ABSTRACT: The catalytic power of enzymes containing coenzyme B12 has been, in some respects, the "last bastion" for the strain hypothesis. Our previous study of this system established by a careful sampling that the major part of the catalytic effect is due to the electrostatic interaction between the ribose of the ado group and the protein and that the strain contribution is very small. This finding has not been sufficiently appreciated due to misunderstandings of the power of the empirical valence bond (EVB) calculations and the need of sufficient sampling. Furthermore, some interesting new experiments point toward entropic effects as the source of the catalytic power, casting doubt on the validity of the electrostatic idea, at least, in the case of B12 enzymes. Here, we focus on the observation o

SUBMITTER: Schopf P 

PROVIDER: S-EPMC4394256 | biostudies-literature | 2015 Apr

REPOSITORIES: biostudies-literature