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Figure 3
Representation of the water displacement compared with the nature of the α-anomeric linker atom (black arrow). (a) Examples of O- and N-­glycosidically linked mannosides. (b) Studied C-glycosidically linked mannosides. W1 is a highly conserved water molecule between the 2-OH group of mannose, Phe1 O, Gly14 N and Gln133 OE1, whereas W2 is the water that is displaced upon changing the nature of the atom making the glycosidic linkage to the aglycon substituent. For CcbP (pink) W2 is shifted towards C2 (dW2–C2 = 3.0 Å). An additional water molecule (W3) interacts strongly with W2 (dW2–W3 = 3.1 Å) and with C3 (dW3–C3 = 3.0 Å).

IUCrJ
Volume 3| Part 3| May 2016| Pages 163-167
ISSN: 2052-2525
doi:10.1107/S2052252516002487