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Allosteric conformational change cascade in cytoplasmic dynein revealed by structure-based molecular simulations

Fig 1

Structure of dynein motor domain.

(A) Structure models for the pre-power-stroke structure (left, modeled from 4RH7, the protein data bank id) and the post-power-stroke structure (modeled from 3VKH and 3J1T). (B) Cartoon view of the two structures with the definition of the eight multiple-basin systems. A unified color code is used to distinguish the eight modules throughout this paper; from N-terminus, the linker is in purple, the AAA1 is in blue, the AAA2 is in cyan, the AAA3 is in green, the AAA4 is in yellow, the MTBD/Stalk is in grey, the AAA5 is in orange, and the AAA6/C-terminal modules is in red.

Fig 1

doi: https://doi.org/10.1371/journal.pcbi.1005748.g001