Article
On the origin of the catalytic power of carboxypeptidase A and other metalloenzymes.
Proteins - 15 Nov 2009
Kilshtain Alexandra Vardi, Warshel Arieh
Abstract excerpt
Zinc metalloenzymes play a major role in key biological processes and carboxypeptidase-A (CPA) is a major prototype of such enzymes. The present work quantifies the energetics of the catalytic reaction of CPA and its mutants using the empirical valence bond (EVB) approach. The simulations allow us to quantify the origin of the catalytic power of this enzyme and to examine different mechanistic alternatives. The...
Topics
- Carboxypeptidases A
- Catalysis
- Catalytic Domain
- Computer Simulation
- Humans
- Models, Chemical
- Models, Molecular
- Models, Statistical
- Molecular Conformation
- Mutation
- Proteins
- Static Electricity
- Thermodynamics
- Water
- Zinc