From Protein Structure to Function via Computational Tools and Approaches. Issue 3 (1st March 2013)

• Record Type: Journal Article
• Authors: Kolodny, Rachel; Kosloff, Mickey
• Is Part Of: Israel journal of chemistry. Volume 53:Issue 3/4(2013)
• Page Start: 147
• Page End: 156
• Publication Date: 2013-03-01
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1002/ijch.201200078
• Languages: English
• ISSNs: 0021-2148

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>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 <italic>global</italic> 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 <italic>function‐oriented</italic> 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.</p> </abstract>