Video 1

Movie S1. Illustration of the electrostatic handle mechanism. (Left) The electrostatic field (black arrow) in the catalytic site of cyclophilin A acts on the electric dipole associated with the carbonyl group of the glycine residue preceding the proline residue in the peptide substrate, thus favoring its rotation. (Right)The energy barrier for the rotation is shown as a function of the ω (x-axis) and ψ (y-axis) backbone dihedral angles.

Cyclophilin A catalyzes proline isomerization by an electrostatic handle mechanism

Carlo Camilloni, Aleksandr B. Sahakyan, Michael J. Holliday, Nancy G. Isern, Fengli Zhang, Elan Z. Eisenmesser, and Michele Vendruscolo

PNAS. 2014. 111:10203-10208 DOI: 10.1073/pnas.1404220111