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. 2014 Aug 21;9(8):e105617. doi: 10.1371/journal.pone.0105617

Figure 3. The binding of FNCTP and 3TCTP to the polymerase active site of RT.

Figure 3

The binding mode of FNCTP and 3TCTP to RT of wild type and mutant forms (A). Top-panel and bottom-panel show the overview and close-up view of the binding mode of compounds FNC and 3TC, with DC as a control. Secondary structural elements were colored from blue (N-terminus) to red (C-terminus). The compounds FNCTP, 3TCTP and DCTP are colored with red, blue and green, respectively. The motif YMDD residues are shown as sticks. The spheres models of compounds FNCTP and 3TCTP interacting with residue184 of RT in wild-type M184 (B) and mutant forms V184 (C), I184 (D) are shown in the figure. The β-branched side chains of the residues V/I184 have steric hindrance with azido group of FNCTP and S atom at oxathiolane ring of 3TCTP.