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. 2016 Oct 31;3(1):34–44. doi: 10.1021/acsinfecdis.6b00078

Figure 7.

Figure 7

Binding of TCMDC-124506 and glyburide to PfProRS. (A) The binding of TCMDC-124506 (orange) or glyburide (blue) displaces the PfProRS TXE-Loop from a conserved conformation seen in liganded and unliganded structures of both HsProRS (4HVC (magenta), 4K86 (pink), 4K87(red), 4K88 (maroon)) and PfProRS (4OLF (green), 4TWA (yellow), and 4YDQ (teal)). (B) The TXE-Loop in AMPPNP and halofuginone bound PfProRS (green) forms interacts in the TCMDC-124506 and glyburide binding site and interacts tightly with the ATP mimic. The binding of TCMDC-124506 (orange) or glyburide (blue) in the novel binding site significantly distorts the conformation of the TXE-Loop, disrupting key interactions between ATP and PfProRS.