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. 2010 Aug 24;5(8):e12364. doi: 10.1371/journal.pone.0012364

Figure 3. Numerical results for the partial noncompetitive inhibition reaction.

Figure 3

a) Rate constants κij (x) and kij (x) as function of the conformational coordinate x, with parameters given in Tables 3 and 4 calculated using Eq. (34) and Inline graphic. b) Normalized rate Inline graphic as a function of concentration [I] at a fixed concentration of [S] = 1. When catalytic reaction is fast with Inline graphic and Inline graphic Slow diffusion in ES conformation leads to an increase in the rate at low and intermediate inhibitor concentration followed by a decay (red squares), a deviation from the macroscopic rate law(red solid line) computed from equation (A.3). For slow catalysis (Inline graphic, quasi-equilibrium limit) normalized rate Inline graphic has the same dependence on I concentration (black circles) as the macroscopic rate law(black solid line) calculated from equation (B.7). We use DES = 10−2 and DE = DEI =  = DESI = 102 and the rest of parameters as in (a). c) Enzymatic rate as a function of conformational diffusion. We took all the diffusions to be the same DE = DES = DEI = DESI = D. For fast catalysis Inline graphic and Inline graphic the enzymatic rate decreases with decreased diffusion (red dashed line). In the quasi-equilibrium limit, when the catalysis is slow Inline graphic the enzymatic rate does not depend on the diffusion coefficient (black solid line). Notably the same trend continues with further decrease in diffusion coefficients, D. We use [S] = 1, [I] = 0.1 and the remaining parameters as in (a, b).