Article
Molecular dynamics simulations of active site mutants of triosephosphate isomerase.
Protein engineering - 1 Aug 1990
Daggett V, Kollman P A
Abstract excerpt
Molecular dynamics simulations of triosephosphate isomerase (TIM) and of some active site TIM mutants were performed in an attempt to elucidate possible interactions important for catalytic activity and binding. A variety of active site residues in TIM have been altered, resulting in all cases in decreases in catalytic activity. Second-site suppressor mutants were characterized for two of these active site...
Topics
- Binding Sites
- Computer Simulation
- Dihydroxyacetone Phosphate
- Hydrogen Bonding
- Molecular Structure
- Mutation
- Protein Engineering
- Suppression, Genetic
- Triose-Phosphate Isomerase