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Substrate binding motifs in SULT1A1 (a), along with wild (b) and mutated (R213H) (c) type structures. Protein thermodynamics stability during the simulation was evaluated through root-mean-square deviations (RMSDs) for wild, R213H, PNP-Wild complex, and PNP-R213H complex, by considering backbone atoms (C, Cα, and N) of protein (d). Here, dark green, light green, orange, and dark red colors denote wild, PNP-Wild, R213H, and PNP-R213H, respectively.
