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. 2017 Mar 17;11(3):e0005472. doi: 10.1371/journal.pntd.0005472

Fig 3. Predicted binding between isotretinoin and TcPAT12.

Fig 3

(A) The three-dimensional model of TcPAT12 (GenBank ID: AY526253) was obtained by homology modeling in the Swiss-model server [35] using the Escherichia coli amino acid antiporter (PDB ID: 3L1L) as a template and refined using a previously reported modeled structure [14]. Residues taken as flexible for docking analysis are indicated in green and the ligand isotretinoin in red. (B) Detailed docked conformation of isotretinoin inside the binding site of homology modeled TcPAT12. The figure shows the residues where the substrate putrescine and isotretinoin bind to the transporter.