Ontology highlight
ABSTRACT:
SUBMITTER: Burschowsky D
PROVIDER: S-EPMC5458464 | biostudies-literature | 2017 Jun
REPOSITORIES: biostudies-literature
Burschowsky Daniel D Krengel Ute U Uggerud Einar E Balcells David D
FEBS open bio 20170502 6
Chorismate mutase is a well-known model enzyme, catalyzing the Claisen rearrangement of chorismate to prephenate. Recent high-resolution crystal structures along the reaction coordinate of this enzyme enabled computational analyses at unprecedented detail. Using quantum chemical simulations, we investigated how the catalytic reaction mechanism is affected by electrostatic and hydrogen-bond interactions. Our calculations showed that the transition state (TS) was mainly stabilized electrostaticall ...[more]