Figure 5
The proton wire that may shuttle the proton needed for catalysis to occur in wtsAgu115A. The Ca2+ ion (black sphere), xylohexaose (orange) and hydrogen bonds (yellow dotted lines) with distances indicated in Å are shown for the putative proton wire (see the text for the hydrogen bonds coordinating the waters around the Ca2+ ion). Residues shown in lime are from unbound wtsAgu115A D303A and those in pale green are from wtsAgu115A–xylohexaose. The subsites are indicated and named according to McKee et al. (2012). D-Xylopyranose moiety 901 corresponds to +2NR, 902 to +1NR, 903 to +1, 904 to +1R and 905 to +2R. |