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. 2019 Feb 13;17(2):116. doi: 10.3390/md17020116

Figure 4.

Figure 4

Molecular docking model of the interactions between hLF1-11(GRRRRSVQWCA) and MPO, as well as between peptide no. 39 (DTETGVPT) with the active sites of MPO (Protein Data Bank (PDB) ID: 3F9P). The structure of hLF1-11 and peptide no. 39 are shown in green and blue stick representations, respectively, in the docking model shown on the left. The amino acid residues around the MPO active site that are involved in the interactions are labelled in magenta color. The interactions between peptides (hLF1-11 or peptide no. 39) and MPO active site are labelled in different colors for better visualization (charge interactions in orange color, conventional hydrogen bond in emerald green color, carbon hydrogen bond in light green color, pi sulfur interaction in light orange color, and alkyl interaction in light pink color).