Fig. 2. Labelling of HiCel7B with 1. (A) Deconvoluted intact mass spectra of HiCel7B with (red) and without (black) incubation with 1. Δm (expected) = 338, Δm (observed) = 339. (B) Structure of the HiCel7B:1 complex showing 2Fo–Fc electron density at 2σ. Amino acids having polar or hydrophobic contacts with 1 are shown as purple sticks, 1, E197, and E202 are shown as tan sticks. (C) Overlay of 1 complex with Cellobiose:HiCel7B(E197S) complex (PDB ID: 1OJK). Active site residues and cellobiose from PDB ID 1OJK are shown in green, active site residues and 1 from PDB ID 6YOZ (this work) are shown in purple.
