Centrality Measures in Residue Interaction Networks to Highlight Amino Acids in Protein-Protein Binding.

ABSTRACT: Residue interaction networks (RINs) describe a protein structure as a network of interacting residues. Central nodes in these networks, identified by centrality analyses, highlight those residues that play a role in the structure and function of the protein. However, little is known about the capability of such analyses to identify residues involved in the formation of macromolecular complexes. Here, we performed six different centrality measures on the RINs generated from the complexes of the SKEMPI 2 database of changes in protein-protein binding upon mutation in order to evaluate the capability of each of these measures to identify major binding residues. The analyses were performed with and without the crystallographic water molecules, in addition to the protein residues. We also inves

SUBMITTER: Brysbaert G 

PROVIDER: S-EPMC9581030 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature