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. 2017 Oct 23;56(48):15289–15293. doi: 10.1002/anie.201707682

Figure 3.

Figure 3

Differential Epitope Mapping (D2O/H2O) of 2,7‐anhydro‐Neu5Ac in complex with RgNanH‐GH33. a) ΔSTD histogram: protons with an ΔSTD factor <−0.75 are shown in green. Protons H6 and H7 were excluded from the analysis due to their proximity to the water peak and the use of solvent suppression. b) DEEP‐STD map of the ligand. Green surfaces indicate ligand contacts with protein side chains carrying slowly exchanging protons. c) Crystal structure of the complex (PDB ID: 4X4A).9 Protons were added using Schrodinger software.14 The slowly exchangeable protons in the binding pocket are depicted with green surfaces.