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Figure 5
(a) Front view of the FhTPI dimer with the best and second-best docking poses of TCBZ displayed (magenta and yellow, respectively). The whole dimer was used as the docking area. Active-site residues for each monomer are shown as red sticks. (b) Close-up view of the second- and third-best docking poses (yellow and grey, respectively) showing TCBZ docked close to the FhTPI dimer interface. Residues (participating in the dimer interface) of both monomers within a radius of 4 Å from TCBZ are displayed. The yellow dashed line indicates (in Å) the predicted hydrogen bond between Gln23 and TCBZ. This image was produced with PyMOL (Schrödinger). |
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