Table I.  Binding sites of GlcNAc (NAG) Ligand atom NAG 1 NAG 2 NAG 3 NAG 4 NAG 5 O7 M76 (N, 2.8) L29 (N, 3.2) L170 (N, 2.9) I123 (N, 2.9) L217 (N, 3.0) W75 (N, 3.3) W28 (N, 3.3) W169 (N, 3.1) W122 (N, 3.2) W216 (N, 3.2) C8 W40 (CE2, 3.6) W228 (CE2, 3.5) W134 (CE2, 3.6) W87 (CE2, 3.6) W181 (CE2, 3.6) N2 G38 (O, 3.1) G226 (O, 3.0) G132 (O, 3.0) G85 (O, 2.8) G179 (O, 2.9) O3 W40 (NE1, 3.0) W228 (NE1, 2.8) W134 (NE1, 2.8) W87 (NE1, 2.8) W181 (NE1, 2.9) (K37) N225 (N, 3.0) S131 (N, 3.1) N84 (N, 3.2) Q178 (N, 3.1) H2O (2.8) H2O (2.8) H2O (2.7) H2O (2.6) H2O (2.7) O4 D71 (O, 2.5) K24 (O, 2.6) N165 (O, 2.6) D118 (O, 2.6) A212 (O, 2.7) K37 (N, 3.0) N225 (N, 3.1) S131 (N, 3.1) N84 (N, 3.1) Q178 (N, 3.3) H2O D73 (O, 2.7) D26 (O, 2.6) D167 (O, 2.7) D120 (O, 2.7) D214 (O, 2.6) I35 (O, 2.8) I223 (O, 2.9) V129 (O, 2.8) I82 (O, 2.6) I176 (O, 2.8) In the first column, the ligand atom or mediating water molecule is given. The other columns show to which protein atoms they bind in all five binding sites (NAG 1-NAG 5). H2O denotes the mediating water molecule as shown in Figure 7. For example, O7 M76 (N, 2.8) reads as: O7 of GlcNAc forms a hydrogen bond to backbone nitrogen (N) of Met76 with a distance of 2.8 Å (O denotes a backbone carbonyl oxygen).

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