FIG. 5.

Model of the tdEAL-Mg²⁺-substrate ternary complex generated from computational docking. The residue numbers for tdEAL are shown, along with the corresponding residue numbers for EAL_RocR in parentheses. The water (W) (yellow ball) is coordinated by Mg²⁺ (green ball) and hydrogen bonded to E₁₈₂ (D₂₉₅) and E₂₃₉ (E₃₅₂) for deprotonation and nucleophilic attack. The water is positioned 3.0 Å away from the electrophilic phosphorus center, with the leaving group (O_L) aligned linearly on the opposite side of the phosphorus.