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HotRegion: a database of predicted hot spot clusters
Engin Cukuroglu1, Attila Gursoy, Ozlem Keskin
1Center for Computational Biology and Bioinformatics and College of Engineering, Koc University, Rumelifeneri Yolu, 34450 Sariyer Istanbul, Turkey.
Nucleic Acids Research
|November 15, 2011
Summary
Clustered protein hot spots form hot regions crucial for complex stability and binding specificity. The HotRegion database provides insights into these hot regions using predicted hot spots and structural interface properties.
Area of Science:
- Protein structure and stability
- Computational biology
- Bioinformatics
Background:
- Hot spots are key residues at protein interfaces, driving complex stability and binding specificity.
- These hot spots are not randomly distributed but cluster to form 'hot regions'.
Purpose of the Study:
- To introduce the HotRegion database, a novel resource for analyzing protein hot regions.
- To provide predicted hot spot information and detailed structural properties of interface residues.
Main Methods:
- Utilizing predicted hot spot residues to identify hot regions.
- Analyzing structural properties including pair potentials, accessible surface area (ASA), and relative ASA.
- Visualizing protein interfaces and hot spot residue interactions in 3D.
Main Results:
- The HotRegion database integrates predicted hot spots with comprehensive structural data.
- It offers 3D visualization of interfaces and interactions among hot spot residues.
- The database facilitates the study of hot regions' role in protein complex stability.
Conclusions:
- HotRegion serves as a valuable resource for understanding the organization and function of hot regions.
- The database aids in the analysis of protein-protein interactions and binding site specificity.
- It supports research in structural biology and drug discovery by highlighting critical interface elements.
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