Fig. 2: BNM-III-170 and M48U1 binding to the gp120 Phe43 pocket. | Nature Communications

Fig. 2: BNM-III-170 and M48U1 binding to the gp120 Phe43 pocket.

From: Cryo-EM structures of HIV-1 trimer bound to CD4-mimetics BNM-III-170 and M48U1 adopt a CD4-bound open conformation

Fig. 2: BNM-III-170 and M48U1 binding to the gp120 Phe43 pocket.

Atom colors: carbon = magenta (BNM-III-170), red (M48U1), or orange (gp120), nitrogen = blue, oxygen = red, sulfur = yellow, chlorine = green; fluorine = cyan. a Cut-away side view of gp120 showing BNM-III-170 or M48U1 inserting into Phe43 pocket cavity of gp120 (black/gray). b Left: Stick model of BNM-III-170 within gp120 Phe43 pocket. Potential interactions between BNM-III-170 and backbone atoms of gp120 residues indicated by an arrow pointing to colored atoms of gp120 residues (sidechains omitted for clarity). Right: Stick and cartoon model of M48U1 within gp120 Phe43 pocket. c Surface rendering of gp120 showing interacting residues for sCD4 (PDB: 6U0L [10.2210/pdb6U0L/pdb], left, yellow), BNM-III-170 (middle, magenta), or M48U1 (right, red). Highlighted residues are 4 Å or less from the bound molecule. gp120 = gray, * = Phe43 cavity entrance.

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