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Navigating complex peptide structures using macrocycle conformational maps
Identification of turn motifs that are stabilized by intramolecular hydrogen bonds can be useful in describing the conformation of peptide systems. However, this approach is somewhat insufficient for cyclic peptides because peptide regions that are not positioned within a hydrogen bond can be left w...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
RSC
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9175111/ https://www.ncbi.nlm.nih.gov/pubmed/35755184 http://dx.doi.org/10.1039/d2cb00016d |
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author | McTiernan, Timothy J. Diaz, Diego B. Saunders, George J. Sprang, Fiona Yudin, Andrei K. |
author_facet | McTiernan, Timothy J. Diaz, Diego B. Saunders, George J. Sprang, Fiona Yudin, Andrei K. |
author_sort | McTiernan, Timothy J. |
collection | PubMed |
description | Identification of turn motifs that are stabilized by intramolecular hydrogen bonds can be useful in describing the conformation of peptide systems. However, this approach is somewhat insufficient for cyclic peptides because peptide regions that are not positioned within a hydrogen bond can be left with no description. Furthermore, non-regular secondary structures and other rarely-observed conformations can be left without detailed evaluation. Herein, we describe “higher-order” ϕ/ψ plots termed macrocycle conformational maps (MCMs) as a tool for evaluating and comparing the conformations of a series of structurally related macrocyclic peptides. |
format | Online Article Text |
id | pubmed-9175111 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | RSC |
record_format | MEDLINE/PubMed |
spelling | pubmed-91751112022-06-23 Navigating complex peptide structures using macrocycle conformational maps McTiernan, Timothy J. Diaz, Diego B. Saunders, George J. Sprang, Fiona Yudin, Andrei K. RSC Chem Biol Chemistry Identification of turn motifs that are stabilized by intramolecular hydrogen bonds can be useful in describing the conformation of peptide systems. However, this approach is somewhat insufficient for cyclic peptides because peptide regions that are not positioned within a hydrogen bond can be left with no description. Furthermore, non-regular secondary structures and other rarely-observed conformations can be left without detailed evaluation. Herein, we describe “higher-order” ϕ/ψ plots termed macrocycle conformational maps (MCMs) as a tool for evaluating and comparing the conformations of a series of structurally related macrocyclic peptides. RSC 2022-04-19 /pmc/articles/PMC9175111/ /pubmed/35755184 http://dx.doi.org/10.1039/d2cb00016d Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/ |
spellingShingle | Chemistry McTiernan, Timothy J. Diaz, Diego B. Saunders, George J. Sprang, Fiona Yudin, Andrei K. Navigating complex peptide structures using macrocycle conformational maps |
title | Navigating complex peptide structures using macrocycle conformational maps |
title_full | Navigating complex peptide structures using macrocycle conformational maps |
title_fullStr | Navigating complex peptide structures using macrocycle conformational maps |
title_full_unstemmed | Navigating complex peptide structures using macrocycle conformational maps |
title_short | Navigating complex peptide structures using macrocycle conformational maps |
title_sort | navigating complex peptide structures using macrocycle conformational maps |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9175111/ https://www.ncbi.nlm.nih.gov/pubmed/35755184 http://dx.doi.org/10.1039/d2cb00016d |
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