Fig. 8: Accessibility of reaction center of the substrate by catalytic triad.
From: Degradation of complex arabinoxylans by human colonic Bacteroidetes
a, b Markov state model (MSM) weighted free energy landscapes are projected as 2-D plots with respect to FA(C9) & HIS (Cβ) distance and FA(C9) & SER(OG) distance. c–f Cartoon representation of different stable binding poses of FA substrate close to active site in Bi1039-CE1 (c, d, e) and the FAE domain of BeGH43/FAE (f). In the stable binding state I (c), the aromatic ring of FA binds far away from catalytic HIS364 residue compared to state II (d) in Bi1039-CE1. State III (e) represents the pose where ligand is entering the pocket.
