Figure 7.

Interactions between 2-FG and selected mutants of P2Ox. (A) Structure of catalytic centre of 3K4L structure (some residues have been removed for the sake of ligand visibility). Canonical H-bonds are depicted as dotted cyan lines and F-H bond is depicted as a green dotted line. Residues having a substantial contribution (both negative and positive) to binding are labelled. (B) Superimposed structures of 2-FG from 3K4L (magenta), MOJ4 (red), and MOF4 (orange) compared to the structure from the crystalline state (blue). (C) Fingerprint plot for the complexed 2-FG in 3K4L structure. (D) Contribution of different X···X contacts for 2-FG protein complexes derived from their Hirshfeld surfaces.