Letting go: Deep computational modeling insights into pH-dependent calcium affinity

Calcium and other cofactors can feature as key additions to a molecular interface, to the extent that the cofactor is completely buried in the bound state. How can such an interaction be regulated then? The answer: By facilitating a switch through an allosteric network. Although a number of unbindin...

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Detalles Bibliográficos
Autor principal: Buck, Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Society for Biochemistry and Molecular Biology 2021
Materias:
Editors' Pick Highlight
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8350533/
https://www.ncbi.nlm.nih.gov/pubmed/34280436
http://dx.doi.org/10.1016/j.jbc.2021.100974
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author Buck, Matthias
author_facet Buck, Matthias
author_sort Buck, Matthias
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description Calcium and other cofactors can feature as key additions to a molecular interface, to the extent that the cofactor is completely buried in the bound state. How can such an interaction be regulated then? The answer: By facilitating a switch through an allosteric network. Although a number of unbinding mechanisms are being characterized, an extensive computational study by Joswig et al. reveals a detailed model for the pattern recognition receptor langerin.
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spelling pubmed-83505332021-08-15 Letting go: Deep computational modeling insights into pH-dependent calcium affinity Buck, Matthias J Biol Chem Editors' Pick Highlight Calcium and other cofactors can feature as key additions to a molecular interface, to the extent that the cofactor is completely buried in the bound state. How can such an interaction be regulated then? The answer: By facilitating a switch through an allosteric network. Although a number of unbinding mechanisms are being characterized, an extensive computational study by Joswig et al. reveals a detailed model for the pattern recognition receptor langerin. American Society for Biochemistry and Molecular Biology 2021-07-16 /pmc/articles/PMC8350533/ /pubmed/34280436 http://dx.doi.org/10.1016/j.jbc.2021.100974 Text en © 2021 The Author https://creativecommons.org/licenses/by/4.0/This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Editors' Pick Highlight
Buck, Matthias
Letting go: Deep computational modeling insights into pH-dependent calcium affinity
title Letting go: Deep computational modeling insights into pH-dependent calcium affinity
title_full Letting go: Deep computational modeling insights into pH-dependent calcium affinity
title_fullStr Letting go: Deep computational modeling insights into pH-dependent calcium affinity
title_full_unstemmed Letting go: Deep computational modeling insights into pH-dependent calcium affinity
title_short Letting go: Deep computational modeling insights into pH-dependent calcium affinity
title_sort letting go: deep computational modeling insights into ph-dependent calcium affinity
topic Editors' Pick Highlight
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8350533/
https://www.ncbi.nlm.nih.gov/pubmed/34280436
http://dx.doi.org/10.1016/j.jbc.2021.100974
work_keys_str_mv AT buckmatthias lettinggodeepcomputationalmodelinginsightsintophdependentcalciumaffinity

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