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Electrostatic interactions at the rim of the binding pocket of hMD-2. (A) 4,4′-phosphate groups (in red) of modeled DA193 (Pose B) are involved in intense ionic contacts with Lys122, Lys125, Arg90 and Lys58; moderate interactions are detected with Arg96. (B) 1, 4′-Phosphate groups of lipid IVa (Pose B, corresponds to PDB code 2E59) establish strong ionic bridges with Lys122, Arg90 and Lys58. Images were generated with PyMol.
