Systems-level modeling with molecular resolution elucidates the rate-limiting mechanisms of cellulose decomposition by cellobiohydrolases

Background:Cellobiohydrolase enzymes processively degrade crystalline cellulose into free sugar molecules. Results:A spatially resolved kinetic model has been developed to understand the effects of interfacial confinement on cellobiohydrolase activity. Conclusion:Cellobiohydrolase activity is limited by slow rates of complexation with cellulose and traffic jamming among enzymes on the substrate. Significance:Identifying kinetic effects imposed by interfacial confinement is crucial for understanding and engineering cellulose bioconversion.