Article
Butyrylcholinesterase and G116H, G116S, G117H, G117N, E197Q and G117H/E197Q mutants: a molecular dynamics study.
Chemico-biological interactions - 6 Sept 2010
Vyas Shubham, Beck Jeremy M, Xia Shijing, Zhang Jun, Hadad Christopher M
Abstract excerpt
Butyrylcholinesterase (BuChE) is a stoichiometric bioscavenger against organophosphorus (OP) nerve agent poisoning, and efforts to make BuChE variants that are catalytically active against a wide spectrum of nerve agents have been ongoing for the last decade. In order to understand the structural consequences for BuChE, we carried out extensive molecular dynamics (MD) simulations on wild-type BuChE (PDB ID: 1P0I)...
Topics
- Butyrylcholinesterase
- Catalytic Domain
- Humans
- Molecular Dynamics Simulation
- Mutant Proteins
- Mutation