Fig. 4: Predicted solvent-mediated hydrogen bonding networks in the ligand-binding pocket. | Nature Communications

Fig. 4: Predicted solvent-mediated hydrogen bonding networks in the ligand-binding pocket.

From: Ligand-specific changes in conformational flexibility mediate long-range allostery in the lac repressor

Fig. 4

A Deuterium uptake plots for peptides i-vi marked in B. The data represent means for n = 2 measurements on biologically independent samples, except panel iv which has n = 5 for all states, and panel v which has n = 5 for IPTG-LacI and ONPF-LacI, and n = 4 for DNA-LacI. Error bars show standard deviations. B, C ONPF-LacI (left) and IPTG-LacI (right) core domain structures colored by differences in exchange compared to apo-LacI. Green regions are rigidified as compared to apo-LacI. Dark gray indicates no data. Surfaces show predicted probabilities of residue interactions with structural water molecules. C Ligand binding sites in C. Circles indicate regions that are rigidified in IPTG-LacI but not ONPF-LacI.

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