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. 2013 Dec 12;289(5):2815–2824. doi: 10.1074/jbc.M113.524207

FIGURE 2.

FIGURE 2.

Modeling of EF1143 activity regulation by dGTP/dTTP binding at the allosteric sites. A, superposition of chain C (green) from 4LRL (EF1143/dGTP/dTTP) with chain B (gray) of 3IRH (EF1143/dGTP/dATP) using the H … HD … D coordination motifs. Chain B (yellow), dGTP (cyan spheres), and dTTP (red spheres) in 4LRL, as well as dATP (gray/red/blue spheres), are shown. Selected side chains are shown and labeled. Note that chain B of 3IRH, rather than chain C, was used for the superposition because chain C does not contain dATP at the active site. B, superposition of chain C (green) from 4LRL with chain A (gray) of 3IRH. Binding of the dTTP molecule (represented by spheres and sticks) to chain C (4LRL) changes loop 196–202 and, particularly, the configuration of Tyr-199, which otherwise would clash with dTTP.