scholarly journals Boosting the analysis of protein interfaces with Multiple Interface String Alignments: illustration on the spikes of coronaviruses

2021 ◽  
Author(s):  
S. Bereux ◽  
B. Delmas ◽  
F. Cazals
Keyword(s):  
Protein Interfaces ◽  
Multiple Interface

scholarly journals Boosting the analysis of protein interfaces with Multiple Interface String Alignment: illustration on the spikes of coronaviruses

2020 ◽  
Author(s):  
S. Bereux ◽  
B. Delmas ◽  
F. Cazals
Keyword(s):  
Conformational Changes ◽  
Neutralizing Antibodies ◽  
Data Bank ◽  
Visualization Tool ◽  
Receptor Binding Domain ◽  
Protein Databases ◽  
Knowledge Based ◽  
Protein Interfaces ◽  
Multiple Interface ◽  
String Alignment

AbstractWe introduce Multiple Interface String Alignment (MISA), a visualization tool to display coherently various sequence and structure based statistics at protein-protein interfaces (SSE elements, buried surface area, ΔASA, B factor values, etc). The amino-acids supporting these annotations are obtained from Voronoi interface models. The benefit of MISA is to collate annotated sequences of (homologous) chains found in different biological contexts i.e. bound with different partners or unbound. The aggregated views MISA/SSE, MISA/BSA, MISA/Δ ASAetc make it trivial to identify commonalities and differences between chains, to infer key interface residues, and to understand where conformational changes occur upon binding. As such, they should prove of key relevance for knowledge based annotations of protein databases such as the Protein Data Bank.Illustrations are provided on the receptor binding domain (RBD) of coronaviruses, in complex with their cognate partner or (neutralizing) antibodies. MISA computed with a minimal number of structures complement and enrich findings previously reported.The corresponding package is available from the Structural Bioinformatics Library (http://sbl.inria.fr)

Sign in / Sign up

Export Citation Format

Share Document