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. 2016 Feb 3;113(8):E958–E967. doi: 10.1073/pnas.1519680113

Fig. 2.

Fig. 2.

Closed- and open-conformation TXS model, productive cation A complex. (A) TXS harboring the cocrystallized unproductive 2-F-GGPP (8) (PDB ID code 3RP5) (C01, C02: magenta; O01 of PPi: yellow; Mg2+: green). (B) TXS harboring manually built productive GGPP and the closed-conformation specific H-bond donor network: Y89, R580, R754, R768, and Y835. Additionally, D614 and N757 are labeled. Coordinated waters: cyan; H-bonds: black; Mg2+-coordinating dative bonds: gray lines. (C) TXS harboring docked QM-derived productive cation A. (D) Superposition of TXS harboring docked cation A (blue) with TXS harboring manually built cation A (red).