Composition of Overlapping Protein-Protein and Protein-Ligand Interfaces.

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ID: 277808
2015
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Abstract
Protein-protein interactions (PPIs) play a major role in many biological processes and they represent an important class of targets for therapeutic intervention. However, targeting PPIs is challenging because often no convenient natural substrates are available as starting point for small-molecule design. Here, we explored the characteristics of protein interfaces in five non-redundant datasets of 174 protein-protein (PP) complexes, and 161 protein-ligand (PL) complexes from the ABC database, 436 PP complexes, and 196 PL complexes from the PIBASE database and a dataset of 89 PL complexes from the Timbal database. In all cases, the small molecule ligands must bind at the respective PP interface. We observed similar amino acid frequencies in all three datasets. Remarkably, also the characteristics of PP contacts and overlapping PL contacts are highly similar.
Reference Key
mohamed2015compositionplos Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Mohamed, Ruzianisra;Degac, Jennifer;Helms, Volkhard;
Journal PloS one
Year 2015
DOI
e0140965
URL
Keywords
molecular docking akap-lbc drug designing protein-protein interaction inhibitors

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