Definition of the acceptor substrate binding specificity in plant xyloglucan endotransglycosylases using computational chemistry
The visualisation of the MD trajectory of the XG-OS7 donor and Xyl-OS4 acceptor substrates in the active site of PttXET16A reveals the instability of the acceptor. After 20 ns the Xyl-OS4 chain changes its position and approaches the loop with S257. However, unlike Cello-OS4 this interaction does no...
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