Figure 4: Ce-2d · iPGM interactions.

(a) Hydrogen bond interactions (black dashed lines) between C. elegans iPGM and Ce-2d. Direct interactions and (b) water (red spheres) mediated contacts. (c) Distance from the C-terminal amide of Tyr11 and the Zn²⁺ and Mn²⁺ ion centres. (d) Superimposed structure of C. elegans iPGM·Ce-2d with that of Staphylococcus aureus iPGM in 2-phosphoglyceric acid bound form (PDB: 4NWX). The following, S. Aureus : C. elegans residue pairs were used for alignment: 123His147, 153-154Asp177-178, 191Arg216, 185Arg210, 257Arg284 and 260Arg287. Ce-2d and 2-PG are shown as CPK space filling models. The purple spheres are the Mn²⁺ ions of S. aureus iPGM and the blue and tan spheres are the Mn²⁺ and Zn²⁺ ion, respectively of C. elegans iPGM. (e) Enlarged region from d showing the relative locations of the 2-PG and Ce-2d as cylinder models with transparent van der Waals surfaces and alignment residue side chains clustering around 2-PG.