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. 2014 Mar 20;289(19):13407–13418. doi: 10.1074/jbc.M113.530535

FIGURE 4.

FIGURE 4.

Refinement of different conformations of the acceptor saccharide. A, refinement of saccharide E as IdoA in the 4C1 conformation (green). B–D, refinement of saccharide E as either GlcA in the 4C1 conformation, IdoA 2S0, or IdoA 1C4, respectively (yellow) superimposed with the IdoA 4C1 structure (green). The simulated annealing omit FoFc map contoured at 4.0σ is displayed in black. Positive FoFc density from each respective refinement is shown in green (3.0σ), and negative density (3.0σ) is shown in red. In B the black dashed line represents a salt bridge (2.9 Å) between the IdoA and Arg-189. For GlcA this distance is 4.0 Å (red dashed line) and thus likely does not form a salt bridge.