Lanthanides as Calcium Mimetic Species in Calcium-Signaling/Buffering Proteins: The Effect of Lanthanide Type on the Ca²⁺/Ln³⁺ Competition.

ABSTRACT: Lanthanides, the 14 4f-block elements plus Lanthanum, have been extensively used to study the structure and biochemical properties of metalloproteins. The characteristics of lanthanides within the lanthanide series are similar, but not identical. The present research offers a systematic investigation of the ability of the entire Ln³⁺ series to substitute for Ca²⁺ in biological systems. A well-calibrated DFT/PCM protocol is employed in studying the factors that control the metal selectivity in biological systems by modeling typical calcium signaling/buffering binding sites and elucidating the thermodynamic outcome of the competition between the "alien" La³⁺/Ln³⁺ and "native" Ca²⁺, and La³⁺ - Ln³⁺ within the lanthan

SUBMITTER: Nikolova V 

PROVIDER: S-EPMC10094714 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature