TitleAnalysis of Residue Conformations in Peptides in CSD and Protein-peptide Structural Complexes.
Publication TypeJournal Article
Year of Publication2017
AuthorsRaghavender USurya
JournalChem Biol Drug Des
Date Published03/2017

A comprehensive statistical analysis of the geometric parameters of peptide chains in a reduced dataset of protein-peptide complexes in PDB is presented. The angular variables describing the backbone conformations of amino acid residues in peptide chains shed insights into the conformational preferences of peptide residues interacting with protein partners. Non-parametric statistical approaches are employed to evaluate the interrelationships and associations in structural variables. Grouping of residues based on their structure into chemical classes reveals characteristic trends in parameter relationships. A comparison of canonical amino acid residues in free peptide structures in Cambridge Structural Database (CSD) with identical residues in PDB complexes, suggests that the information can be integrated from both the structural repositories enabling efficient and accurate modelling of biologically active peptides. This article is protected by copyright. All rights reserved.

Alternate JournalChem Biol Drug Des
PubMed ID27589215