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Structural bioinformatics studies of serotonin, dopamine and norepinephrine transporters and their AlphaFold2 predicted water-soluble QTY variants and uncovering the natural mutations of L->Q, I->T, F->Y and Q->L, T->I and Y->F

Fig 3

Superposed 7 native monoamine transporters (MATs) and their QTY variants that were predicted by AlphaFold2.

Native MAT structures are colored in green, and their corresponding water-soluble QTY variants in cyan. RMSD values, expressed in Å (in parentheses), are provided for the following comparisons: a NET vs NET^QTY (0.701Å), b DAT vs DAT^QTY (1.120Å), c SERT vs SERT^QTY (0.492Å), d VMAT1 vs VMAT1^QTY (1.084Å), e VMAT2 vs VMAT2^QTY (1.515Å), f VAChT vs VAChT^QTY (0.603Å), g VPAT vs VPAT^QTY (0.696Å). For clarity, N- and C- termini and large loops are deleted. Detailed information can be found in Table 1.

doi: https://doi.org/10.1371/journal.pone.0300340.g003