Fig. 4
From: Computational design of anti-cancer peptides tailored to target specific tumor markers
Post-Docking Interaction of DcR3 with Respective Peptides. First Panel: Schematic Representation of LIGPLOT view. Pink lines represent non-ligand bonds. Cyan lines denote ligand bonds. Green dotted lines, with annotated distances, indicate hydrogen bonds. Red hemispheres signify hydrophobic interactions. Second Panel: Visualization in Chimera. All hydrophobic residues are colored green. The ligands are consistently represented in pink in all interactions. D6: Gln51 (yellow), Tyr78 (purple), Gln80 (light green), and Tyr84 (red) of DcR3 each form one hydrogen bond with the peptide. Asn110 (cyan) forms two hydrogen bonds with the peptide. D18: Tyr78 (red) forms one hydrogen bond with the peptide. D8: Arg87 (yellow) and Cys88 (purple) each form one hydrogen bond with the peptide. D2: Tyr78 (cyan), Gln80 (blue), Phe81 (purple), Glu86 (light green) and Cys88 (yellow) of DcR3 form single hydrogen bonds with Pro7, Glu6, Glu6, Asp2, and Ala1 of peptide D2, respectively. Arg87 forms two hydrogen bonds with Asp2 and Ala1. D12: Gln51 (cyan) and Gln80 (yellow) of DcR3 form single hydrogen bonds with Pro5 and Thr1, respectively