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Fig. 8 | Biotechnology for Biofuels

Fig. 8

From: Cellular automata modeling depicts degradation of cellulosic material by a cellulase system with single-molecule resolution

Fig. 8

Dynamic formation and dissipation of enzyme traffic jams at the amorphous–crystalline interface. Cellulases are identified by color EG (red), CBH II (light blue), and CBH I (dark blue). For an easier viewing, the background is darkened through all panels. a, b An already-trapped CBH II molecule at the interface of crystalline and amorphous cellulose (green rectangle) causes a traffic jam of CBH I molecules. c CBH I molecules move processively from left to right on the upper edge of the crystal and an accumulation of CBH I can be observed (21 s). d, e Degradation starts on the other site of the crystallite too but is soon stopped by another collision with a CBH II molecule (green rectangle, panel f). f After 1/k off is passed, CBH II dissociates but the amorphous material below the dissociated CBH II is clearly elevated in comparison to the surrounding amorphous material (yellow rectangle). Note: the elevated height is recognized by bright color in the yellow framed area. The lower lying surrounding material is indicated by (dark) brown color. g, h EG molecules attack the (elevated) amorphous part (yellow rectangle) and clearly alter it by reducing its height. i Eventually, CBH I molecules resume hydrolysis (green square, 154 s). However, the next group CBH I enzymes trying to slide along the crystal on a lower plane are trapped again (pink square). Note that, the crystallite shows already degradation (pink square) caused by the first group of enzyme sliding along. A video is available (Additional file 3)

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