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How Thioredoxin Dissociates Its Mixed Disulfide

Figure 5

Hydrogen bonding of Cys32^Trx in the mixed disulfide of Bs_Trx-ArsC.

Time course in the MD simulation of the distance between A Cys32^TrxS_γ and Trp28^TrxN and between B Cys32^TrxS_γ and Cys29^TrxN, with ionized (black) and neutral (red) Cys82^ArsC. C Example of one MD snapshot with the Cys32^TrxS_γ—Cys29^TrxN and Cys32^TrxS_γ—Trp28^TrxN hydrogen bonds introduced, when Cys82^ArsC is deprotonated.

doi: https://doi.org/10.1371/journal.pcbi.1000461.g005