Fig. 2: Two different processes in an HK are taking place on different time scales. | Communications Chemistry

Fig. 2: Two different processes in an HK are taking place on different time scales.

From: Mechanism of activation and autophosphorylation of a histidine kinase

Fig. 2

Purple – DHp domain; yellow – catalytic domain; black dot – phosphate group. This work aims to investigate the processes I → II (classical atomistic simulation) as well as the phosphorylation in state II (QM/MM simulation). The chemical reaction consists of two distinct steps: II-A → II-B, phosphoryl transfer itself, and II-B → II-C, deprotonation of the phosphorylated histidine.

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