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

Figure 4.

Figure 4

Molecular modeling of griffithsin. (A,B) Lateral (A) and front view (B) of the ribbon diagram of the domain-swapped griffithsin, in complex with mannose (M) (PDB code 2GUD). (C) Network of hydrogen bonds (black dashed lines) anchoring mannose (M) to the amino acid residues forming the CBS of griffithsin. Aromatic residues Y28 and Y110 participating in stacking interactions with the pyranose ring of Man, are colored orange. (D) Molecular surface (colored slate green) at the CBS of griffithsin forming a depression (delineated by a yellow dashed line) harboring the Man (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).