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. 2020 Oct 29;18(11):543. doi: 10.3390/md18110543

Figure 5.

Figure 5

Molecular modeling of griffithsin. (A) Front view of the ribbon diagram of a domain of griffithsin, in complex with dimannoside Manα1,6Man (M, colored purple) (PDB code 2HYQ). (B) Network of hydrogen bonds (black dashed lines) anchoring the dimannoside (M) to the amino acid residues forming the CBS of griffithsin. Aromatic residues Y28 and Y110 participating in stacking interactions with the dimannoside, are colored orange. (C) Molecular surface (colored slate green) at the CBS of griffithsin forming a depression (delineated by a yellow dashed line) harboring the dimannoside (M, colored purple) linked by a network of hydrogen bonds (black dashed lines) to G26, S27, Y28, D30 and G44 residues, and stacking interactions with Y28 and Y110 residues (colored orange). Note the absence of contact between the second Man residue of the dimannoside and the CBS of griffithsin.