Binding Leverage as a Molecular Basis for Allosteric Regulation
2011
Binding Leverage in Allosteric Regulation
Sample size: 241
publication
10 minutes
Evidence: high
Author Information
Author(s): Simon Mitternacht, Igor N. Berezovsky
Primary Institution: University of Bergen, Bergen, Norway
Hypothesis
Can binding leverage be used to predict functional and latent allosteric sites in proteins?
Conclusion
The study demonstrates that binding leverage can effectively predict allosteric and catalytic sites in proteins.
Supporting Evidence
- Binding leverage can be calculated from a single crystal structure.
- High binding leverage is found in both catalytic and allosteric sites.
- Binding leverage helps in identifying latent allosteric sites.
- Monte Carlo simulations provide a fast computational approach for predicting binding sites.
- Dynamic information is crucial for predicting functional sites in proteins.
Takeaway
This study shows that certain spots on proteins can help control how they work, which is important for designing new medicines.
Methodology
Monte Carlo simulations were used to analyze binding sites and their coupling to protein dynamics.
Limitations
The study focused only on enzymes regulated by ligand binding and did not consider allostery due to other factors.
Digital Object Identifier (DOI)
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