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Published on: January 13, 2017
The LabelHash server and tools for substructure-based functional annotation.
Mark Moll1, Drew H Bryant, Lydia E Kavraki
1Department of Computer Science, Rice University, Houston, TX 77005, USA. mmoll@rice.edu
LabelHash predicts protein function by comparing substructures across the Protein Data Bank. This tool identifies functional residues and provides statistical significance for unknown protein analysis.
Area of Science:
- Biochemistry
- Structural Biology
- Bioinformatics
Background:
- The LabelHash website is freely accessible to all users without requiring login credentials.
- The tool is available at http://labelhash.kavrakilab.org.
Purpose of the Study:
- To introduce the LabelHash server and associated tools for large-scale substructure comparison.
- To enable the prediction of unknown protein functions using identified substructures.
Main Methods:
- Utilizes a substructure comparison approach for analyzing protein data.
- Identifies occurrences of matching substructures within the entire Protein Data Bank.
- Provides statistical significance estimates for identified matches.
Main Results:
- Successfully identifies substructural matches within the Protein Data Bank.
- Offers known functional annotations for each identified substructure match.
- Results are downloadable for further analysis in molecular viewers.
Conclusions:
- LabelHash facilitates large-scale substructure comparison for predicting protein function.
- The tool aids in understanding the function of unknown proteins by analyzing functional residues.
- Integration with molecular viewers like Chimera enhances usability for researchers.
