Spodium Bonds in Biological Systems: Expanding the Role of Zn in Protein Structure and Function

[Image: see text] Understanding the structural and functional implications of metal ions is of pivotal significance to chemical biology. Herein, we report first time the evidence of spodium bonds (SpB’s, an attractive noncovalent force involving elements from group 12 and electron-rich species) in t...

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Autores principales: Biswal, Himansu S., Kumar Sahu, Akshay, Frontera, Antonio, Bauzá, Antonio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8525862/
https://www.ncbi.nlm.nih.gov/pubmed/34375103
http://dx.doi.org/10.1021/acs.jcim.1c00594
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author Biswal, Himansu S.
Kumar Sahu, Akshay
Frontera, Antonio
Bauzá, Antonio
author_facet Biswal, Himansu S.
Kumar Sahu, Akshay
Frontera, Antonio
Bauzá, Antonio
author_sort Biswal, Himansu S.
collection PubMed
description [Image: see text] Understanding the structural and functional implications of metal ions is of pivotal significance to chemical biology. Herein, we report first time the evidence of spodium bonds (SpB’s, an attractive noncovalent force involving elements from group 12 and electron-rich species) in tetrahedral Zn-binding sites. Through a combined crystallographic (PDB analysis) and computational (ab initio calculations) study, we demonstrate that Zn SpB’s are abundant and might be involved in protein structure and enzyme inhibition.
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spelling pubmed-85258622021-10-20 Spodium Bonds in Biological Systems: Expanding the Role of Zn in Protein Structure and Function Biswal, Himansu S. Kumar Sahu, Akshay Frontera, Antonio Bauzá, Antonio J Chem Inf Model [Image: see text] Understanding the structural and functional implications of metal ions is of pivotal significance to chemical biology. Herein, we report first time the evidence of spodium bonds (SpB’s, an attractive noncovalent force involving elements from group 12 and electron-rich species) in tetrahedral Zn-binding sites. Through a combined crystallographic (PDB analysis) and computational (ab initio calculations) study, we demonstrate that Zn SpB’s are abundant and might be involved in protein structure and enzyme inhibition. American Chemical Society 2021-08-10 2021-08-23 /pmc/articles/PMC8525862/ /pubmed/34375103 http://dx.doi.org/10.1021/acs.jcim.1c00594 Text en © 2021 American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Biswal, Himansu S.
Kumar Sahu, Akshay
Frontera, Antonio
Bauzá, Antonio
Spodium Bonds in Biological Systems: Expanding the Role of Zn in Protein Structure and Function
title Spodium Bonds in Biological Systems: Expanding the Role of Zn in Protein Structure and Function
title_full Spodium Bonds in Biological Systems: Expanding the Role of Zn in Protein Structure and Function
title_fullStr Spodium Bonds in Biological Systems: Expanding the Role of Zn in Protein Structure and Function
title_full_unstemmed Spodium Bonds in Biological Systems: Expanding the Role of Zn in Protein Structure and Function
title_short Spodium Bonds in Biological Systems: Expanding the Role of Zn in Protein Structure and Function
title_sort spodium bonds in biological systems: expanding the role of zn in protein structure and function
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8525862/
https://www.ncbi.nlm.nih.gov/pubmed/34375103
http://dx.doi.org/10.1021/acs.jcim.1c00594
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