Figure 1.

MtbTrxCC40S structures. (A) Cartoon diagram of the uncomplexed MtbTrxCC40S homodimer shown with chain A (helices blue) and chain B (helices orange). (B) Electron density map (blue) calculated using refined phases and 2Fo-Fc coefficients and contoured at 1σ, surrounding the active site Cys37 and bound PMX464 is shown as stick. (C) Cartoon diagram of the MtbTrxCC40S–PMX464 complex, chain A (blue) and chain B (orange). (D) Charged surface representation of MtbTrxCC40S with bound PMX464 shown as stick occupying pocket A and residues Asp66 to Ile80 (chain B) shown in cartoon. (E) Superposition of the active site residues of the MtbTrxCC40S–PMX464 complex (blue) with the unliganded structure (white). An interactive view is available in the electronic version of the article. PRO533 Figure 1