Dating agent prov4 7 1
This data can be used to study global, correlated motions in atomic simulations of proteins.Isocitrate lyase (ICL), one of the key enzymes of glyoxylate shunt, catalyzes the transformation of isocitrate to succinate and glyoxylate.Upon mutation, the residual mobility of the enzyme increased, resulting in a decrease in the stability, which was confirmed by the lower free energy of stabilization in the mutant enzyme suggesting the destabilization in the structure.
The resulting principal components (PCs) are sorted according to their contribution to the total fluctuation along the ensemble of conformations.
Our biochemical results showed that a point mutation at Phe345, which is topologically distant (), completely abolishes the activity of the enzyme.
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