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

ABSTRACT: 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.

SUBMITTER: Biswal HS

PROVIDER: S-EPMC8525862 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature

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

Biswal Himansu S HS Kumar Sahu Akshay A Frontera Antonio A Bauzá Antonio A

Journal of chemical information and modeling 20210810 8

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 (<i>ab initio</i> calculations) study, we demonstrate that Zn SpB's are abundant and might be involved in protein struct ...[more]

PMID: 34375103

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