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Table 2 Summarization of the tested k cat values for EG and CBH II and the resulting V z

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

k cat [s−1] V z (nm/min)
without active CBH I molecules present
V z (nm/min)
with active CBH I molecules present
EG CBH II CBH II k off [s−1] CBH II k off [s−1]
0.7 × 0.7 ×
10−1 10−3 10−5 10−1 10−3 10−5 10−2a
0.9 1.8 0.71 0.55 0.55
0.9 1.2 0.64 0.55 0.54
0.6 3.6 0.65 0.37 0.37
0.5 3.6 0.61 0.32 0.31
1.2 1.2 0.77 0.70 0.71 0.83 0.73 0.75
1.2 0.9 0.75 0.70 0.69 0.81 0.74 0.73
1.2 0.7 0.72 0.69 0.69 0.77 0.73 0.73 0.75 b
1.2 0.6 0.71 0.69 0.68 0.75 0.73 0.73
  1. Simulations were performed in the absence or presence of active CBH I molecules and the k off of CBH II was varied at the values indicated. The values are shown as mean V z (nm/min). The relative SD is below 5 % in all cases and therefore not shown. Simulations were performed in triplicates and over a time of 1575 s. Simulations matching the condition k cat (EG) < k cat (CBH II) were not tested with active CBH I molecules (see Estimation of the k cat of EG and CBH II). The finally chosen k cat pair and the results obtained with an optimized k off of CBH II are highlighted
  2. aOptimized k off of CBH II
  3. bMean value of V z is not affected by the implementation of k endo for CBH II