Fig. 2: Structural analysis of the AlyV^R91A-M8, PyAly^H125A-M8 and PyAly^H125A_Y223A-M5 complexes.

Overall structures of the a AlyV^R91A-M8 complex, c PyAly^H125A-M8 complex and d PyAly^H125A_Y223A-M5 complex. AlyV^R91A, PyAly^H125A and PyAly^H125A_Y223A are shown as cartoons in pale cyan, dark green and light blue, respectively. M8 and M5 are shown as sticks in salmon a, gray c, and yellow d, respectively. The electron density maps for M8 and M5 (contour level 1σ) are shown above the overall structures of the complexes. b Hydrogen bonding interactions between AlyV^R91A and the sugar units at subsites -1 and -2. The residues involved in substrate binding are shown in sticks, and hydrogen bonds are indicated with blue dashed lines. e Structural comparison of the PyAly^H125A-M8 complex with the PyAly^H125A_Y223A-M5 complex. f Hydrogen bonding interactions between PyAly and the sugar units at subsites -3 to +3. The residues involved in substrate binding are shown in stick, and hydrogen bonds are indicated with blue dashed lines.