Figure 4
Structures of the CHIT1–chitobiose complex obtained using different concentrations of 4-MU-NAG3. (a) Two conformations of Glu140 shown as lines within the 2mFo − Fc electron-density map (1σ cutoff) in blue. (b) 2mFo − Fc electron-density map (1σ cutoff) of chitobiose in the three structures of the complex with CHIT1. (c) Cluster of Tyr27, Asp136, Asp138 and Glu140 shown as sticks with the percentage occupancies in the CHIT1–chitobiose complex. Tyr27, Asp136, Asp138-confA and Glu140-confA are coloured grey. Asp138-confB and Glu140-confB are coloured blue/purple. (d) Enlargement of the interaction between Glu140 and O1 of chitobiose. The hydrogen-bond lengths are shown. (e) The cluster of Tyr27, Asp136, Asp138-confB, Glu140-confB and chitobiose shown as sticks with the C—O bond lengths obtained by SHELXL refinement. |