[Computer modeling of enzymatic hydrolysis of a linear polysaccharide by endoglycanases]

The kinetics of linear polysaccharide hydrolysis with endoglycanases was studied with the help of computer modelling. Simple hydrolysis of a substrate (polymerization degree 30) -- analogous to beta-1,3-glucan -- laminarin was considered. The theoretical action patterns of several enzymes having active centres with known subsite maps were compared with experimental data for endolaminarinase LIV from Spisula sachalinensis. Analysis of the data obtained revealed some characteristic features in the course of the reaction and showed how to achieve information on the active centres of endoglycanases on the basis of such an action pattern. The method of evaluating maximum distance from the catalytic site to the boundary of the active centre was proposed.