Cooperativity-Dependent Folding of Single-Stranded DNA

The folding of biological macromolecules is a fundamental process of which we lack a full comprehension. Mostly studied in proteins and RNA, single-stranded DNA (ssDNA) also folds, at physiological salt conditions, by forming nonspecific secondary structures that are difficult to characterize with b...

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Autores principales: X. Viader-Godoy, C. R. Pulido, B. Ibarra, M. Manosas, F. Ritort
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Publicado: American Physical Society 2021
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spelling oai:doaj.org-article:50446c0ce7224f209a1053867f16390e2021-12-02T19:06:49ZCooperativity-Dependent Folding of Single-Stranded DNA10.1103/PhysRevX.11.0310372160-3308https://doaj.org/article/50446c0ce7224f209a1053867f16390e2021-08-01T00:00:00Zhttp://doi.org/10.1103/PhysRevX.11.031037http://doi.org/10.1103/PhysRevX.11.031037https://doaj.org/toc/2160-3308The folding of biological macromolecules is a fundamental process of which we lack a full comprehension. Mostly studied in proteins and RNA, single-stranded DNA (ssDNA) also folds, at physiological salt conditions, by forming nonspecific secondary structures that are difficult to characterize with biophysical techniques. Here, we present a helix-coil model for secondary-structure formation, where ssDNA bases are organized in two different types of domains (compact and free). The model contains two parameters: the energy gain per base in a compact domain, ε, and the cooperativity related to the interfacial energy between different domains, γ. We test the ability of the model to quantify the formation of secondary structure in ssDNA molecules mechanically stretched with optical tweezers. The model reproduces the experimental force-extension curves in ssDNA of different molecular lengths and varying sodium and magnesium concentrations. Salt-correction effects for the energy of compact domains and the interfacial energy are found to be compatible with those of DNA hybridization. The model also predicts the folding free energy and the average size of domains at zero force, finding good agreement with secondary-structure predictions by mfold. We envision the model could be further extended to investigate native folding in RNA and proteins.X. Viader-GodoyC. R. PulidoB. IbarraM. ManosasF. RitortAmerican Physical SocietyarticlePhysicsQC1-999ENPhysical Review X, Vol 11, Iss 3, p 031037 (2021)
institution DOAJ
collection DOAJ
language EN
topic Physics
QC1-999
spellingShingle Physics
QC1-999
X. Viader-Godoy
C. R. Pulido
B. Ibarra
M. Manosas
F. Ritort
Cooperativity-Dependent Folding of Single-Stranded DNA
description The folding of biological macromolecules is a fundamental process of which we lack a full comprehension. Mostly studied in proteins and RNA, single-stranded DNA (ssDNA) also folds, at physiological salt conditions, by forming nonspecific secondary structures that are difficult to characterize with biophysical techniques. Here, we present a helix-coil model for secondary-structure formation, where ssDNA bases are organized in two different types of domains (compact and free). The model contains two parameters: the energy gain per base in a compact domain, ε, and the cooperativity related to the interfacial energy between different domains, γ. We test the ability of the model to quantify the formation of secondary structure in ssDNA molecules mechanically stretched with optical tweezers. The model reproduces the experimental force-extension curves in ssDNA of different molecular lengths and varying sodium and magnesium concentrations. Salt-correction effects for the energy of compact domains and the interfacial energy are found to be compatible with those of DNA hybridization. The model also predicts the folding free energy and the average size of domains at zero force, finding good agreement with secondary-structure predictions by mfold. We envision the model could be further extended to investigate native folding in RNA and proteins.
format article
author X. Viader-Godoy
C. R. Pulido
B. Ibarra
M. Manosas
F. Ritort
author_facet X. Viader-Godoy
C. R. Pulido
B. Ibarra
M. Manosas
F. Ritort
author_sort X. Viader-Godoy
title Cooperativity-Dependent Folding of Single-Stranded DNA
title_short Cooperativity-Dependent Folding of Single-Stranded DNA
title_full Cooperativity-Dependent Folding of Single-Stranded DNA
title_fullStr Cooperativity-Dependent Folding of Single-Stranded DNA
title_full_unstemmed Cooperativity-Dependent Folding of Single-Stranded DNA
title_sort cooperativity-dependent folding of single-stranded dna
publisher American Physical Society
publishDate 2021
url https://doaj.org/article/50446c0ce7224f209a1053867f16390e
work_keys_str_mv AT xviadergodoy cooperativitydependentfoldingofsinglestrandeddna
AT crpulido cooperativitydependentfoldingofsinglestrandeddna
AT bibarra cooperativitydependentfoldingofsinglestrandeddna
AT mmanosas cooperativitydependentfoldingofsinglestrandeddna
AT fritort cooperativitydependentfoldingofsinglestrandeddna
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