FIG. 4.
Locations of substitutions in HIV-1IIIB gp120 induced by in vitro selection with NBD-556 or sCD4. The side chains of the mutated residues that appeared during the in vitro selection with NBD-556 (A) or sCD4 (B) are shown in yellow and purple. The amino acid substitutions that confer resistance in HIV-1 are indicated in purple. The crystal structure of gp120 with sCD4 was retrieved from the PDB (entry 1RZJ). The structure of compound NBD-556 docked into gp120 was created by using the FlexSIS module of SYBYL 7.1.