Abstract
The three-dimensional structures of proteins are often considered fundamental for understanding their function. Yet, because of the complexity of protein structure, extracting specific functional information from structures can be a considerable challenge. Here, we present selected approaches and tools that we have developed to study and connect protein sequence, structure, and function spaces. First, we consider a global perspective of structure space and view the protein data bank (PDB) as a database. We highlight challenges in searching protein structure space and in using the PDB as the starting point for computational structural studies. Then we describe a function-oriented view and show examples of how multiple protein structures can be used to extract insights about the function and specificity of proteins at the family level.
Original language | English |
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Pages (from-to) | 147-156 |
Number of pages | 10 |
Journal | Israel Journal of Chemistry |
Volume | 53 |
Issue number | 3-4 |
DOIs | |
State | Published - Apr 2013 |
Keywords
- bioinformatics
- molecular recognition
- protein structures
- structure-activity relationships
ASJC Scopus subject areas
- General Chemistry