Article
Discovery of novel allosteric effectors based on the predicted allosteric sites for Escherichia coli D-3-phosphoglycerate dehydrogenase.
PloS one - 1 Jan 2014
Wang Qian, Qi Yifei, Yin Ning, Lai Luhua
Abstract excerpt
D-3-phosphoglycerate dehydrogenase (PGDH) from Escherichia coli catalyzes the first critical step in serine biosynthesis, and can be allosterically inhibited by serine. In a previous study, we developed a computational method for allosteric site prediction using a coarse-grained two-state Gō Model and perturbation. Two potential allosteric sites were predicted for E. coli PGDH, one close to the active site and...
Topics
- Allosteric Regulation
- Allosteric Site
- Binding Sites
- Binding, Competitive
- Enzyme Inhibitors
- Escherichia coli
- Kinetics
- Models, Molecular
- Mutation
- Phosphoglycerate Dehydrogenase
- Reproducibility of Results