Investigation of the Iron(II) Release Mechanism of Human H-Ferritin as a Function of pH.
J Chem Inf Model
; 57(9): 2112-2118, 2017 09 25.
Article
em En
| MEDLINE
| ID: mdl-28853891
ABSTRACT
We investigated the kinetics of the release of iron(II) ions from the internal cavity of human H-ferritin as a function of pH. Extensive molecular dynamics simulations of the entire 24-mer ferritin provided atomic-level information on the release mechanism. Double protonation of His residues at pH 4 facilitates the removal of the iron ligands within the C3 channel through the formation of salt bridges, resulting in a significantly lower release energy barrier than pH 9.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Apoferritinas
/
Ferro
Limite:
Humans
Idioma:
En
Ano de publicação:
2017
Tipo de documento:
Article