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Fig. 3 | Retrovirology

Fig. 3

From: Rotten to the core: antivirals targeting the HIV-1 capsid core

Fig. 3

(Parts of this figure are based on Fig. 4 from Gres et al. [105]. Reprinted with permission from AAAS)

Binding interactions of PF74 at binding site 1 of HIV-1 CA. A Chemical structure of PF74. B PF74 binding at the CANTD–CACTD interfaces of adjacent subunits within a CA hexamer (PDB ID: 4XFZ). The larger box shows a close-up view of the PF74 binding site in relation to the threefold (triangle) and twofold (oval) interfaces. CANTDs and the corresponding CACTDs are colored by the same colors (light and dark, respectively). C CANTD and a CACTD of a neighboring subunit (CACTDʹ) participate in PF74 binding (gray and dark cyan ribbons; site 1 residues are shown in red cartoon and pink sticks). PF74 is shown as yellow sticks. D PF74 binding geometries in CA-PF74 (PDB ID: 4XFZ; PF74 in yellow), CAXL-PF74 (PDB ID: 4U0E; PF74 in beige), and CANTD-PF74 (PDB ID: 2XDE; PF74 in brown). E Threefold interface of CA-PF74 superposed onto CA (aligned based on residues 1–219). Helices α10 of CA-PF74 and CA are in yellow and dark gray. Water molecules are shown as red spheres in CA; no water molecules were present in CA-PF74

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