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.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1021/acs.jcim.7b00306 | DOI Listing |
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!