Fig. 6
From: Molecular insights into the rescue mechanism of an HERG activator against severe LQT2 mutations
Mechanism of the rescue effect of the IKr activator ICA-105574 in the G628S mutation. A The figure shows a schematic representation of the allosteric network linking ICA-105574 binding to the SF and the S5P turret helix in a single monomer chain of the G628S mutant. ICA-105574 and the residues with higher net H-bond occupancy in the G628S-ICA system are highlighted as sticks, with H-bonds indicated by dashed lines. The surface representation shows the propagation path, with the gradual decrease in color indicating increasing distance from the ligand binding site. B, C S624 is defined as the starting point of the network because it forms a favorable interaction with the nitro group of ICA-105574. The Chi (χ)1 dihedral angle distributions of S620 and S624 are shown as 1D histograms, indicating significant population shifts or changes in the side chain orientations upon ICA-105574 binding.