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Similarly, sodium 2-propenyl thiosulfate (2-PTS), a metabolite of allyl sulfur compounds, was shown to bind in the active site of Azotobacter vinelandii rhodanese (RhdA) and inhibit its activity (Sabelli et al., 2008)

Along the transition trajectory computed using the molecular mechanics force field CHARMM36, Gly 376 has repeated highest number of time among all the 14 different AA residues trapped in the transition zone, indicating the key role of Gly 376 by the distortion of backbone bond-angles of the tripeptide (Table S7)

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