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

Himansu S BiswalAkshay Kumar SahuAntonio FronteraAntonio Bauzá
Published in: Journal of chemical information and modeling (2021)
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.
Keyphrases
  • heavy metals
  • protein protein
  • amino acid
  • binding protein
  • molecular dynamics
  • density functional theory
  • quantum dots
  • risk assessment
  • single molecule
  • water soluble