Figure 3.

Mode of action of dolutegravir targeting HIV-1 integrase. This figure shows the 3D structure of the HIV-1 IN catalytic site complexed with DTG. The three coplanar oxygen atoms (in red) of DTG chelate Mg²⁺ cations (in orange) in the intasome active site constituted by the D116, D64 and E152 residues. The length and flexibility of the linker bridging the tricyclic metal-chelating core and the difluorophenyl ring are responsible for the high potency of inhibition of DTG. This 3-D structure was prepared with The PyMOL Molecular Graphics System, Version 1.3, Schrödinger, LLC using the PDB (protein data bank) 6VDK [53]. Red: oxygen atoms, blue: nitrogen atoms.