Raltegravir target binding: A) and B) Two different conformations obtained by inhibitor docking on the 5CITEP•IN complex by Autodock 4.0 (64). Inhibitors and residues in close contact are indicated as sticks and the protein is shown as a secondary structure cartoon. 5CITEP marking the terminal portion of 3'-processed viral DNA, the catalytic triad (D64, D116, E152) and interacting key residues are shown as gray, orange and yellow carbon backbone representations, respectively. C) The best docking (GOLD 3.2) of the inhibitor on the 1BL3 IN crystal structure (84). Inhibitor (magenta) and residues in close contact (green) are indicated as sticks; D) Inhibitor induced-fit docking on the IN•DNA complex (5). Two positions of the inhibitor, 1 (orange) and 2 (green); residues in close contact are indicated as sticks and the protein is shown as a secondary structure cartoon. The images are reproduced from the corresponding papers with kind permission of the authors.