Fig. 3

Three-dimensional structure of CjGH5D in complex with XXXG-NHCOCH₂Br and XyGOs. a Cartoon representation of the secondary structure of CjGH5D colour ramped from the N-terminus (blue) to the C-terminus (red). The two ligands XXXG-NHCOCH₂Br and GXLG are overlaid in the active site cleft and shown in green and magenta sticks, respectively. b A close-up view of the active site cleft with the overlaid ligands XXXG-NHCOCH₂Br in green and XXLG in magenta showing different amino acids interacting with the carbohydrate ligands. c 2F_o − F_c (σ_A/maximum likelihood weighted) electron density contoured in blue around GXLG in the CjGH5D-XXLG complex (left panel) and the chemical structure of the corresponding ligand (Right panel). Insufficient electron density was observed for the − 4′ xylosyl residue to allow modelling, therefore, it is shown in grey. d 2F_o − F_c electron density at 1σ (approx. 0.2 e⁻/ų) contoured in blue around XXXG-NHCOCH₂ moiety in the CjGH5D-XXXG-NHCOCH₂Br complex (left panel) and chemical structure of the corresponding ligand (right panel). The bromide leaving group is shown in grey