Table 4.
Predicted binding of the beta-lactoglobulin derived peptides on the protein surface from DPP-4 enzyme from Homo sapiens.
| Sequence | Active amino acids | P * | Potentially bound amino acids on the DPP-4 enzyme (PDB: 3WQH) |
|---|---|---|---|
| ALPMHIR | Ala-1, Leu-2, Pro-3, Met-4, Ile-6, Arg-7 | 0.0004 | TYR48, VAL546, TYR547, TRP627, GLY628, TRP629, SER630, TYR631, TYR666, GLY741, HIS748, TYR752 |
| IPAVFK | Ile-1, Pro-2, Ala-3, Val-4 | 0.0123 | TYR48, TRP627, GLY628, TRP629, SER630, GLY741, HIS748, TYR752 |
| GLDIQK | Leu-2, Asp-3, Gln-5, Lys-6 | 0.0370 | TYR547, TRP627, GLY628, TRP629, SER630, TYR631, VAL653, TYR666, TYR752 |
| IIAEK | Ile-1, Ile-2, Ala-3, Lys-5 | 0.0250 | GLU206, TYR547, TRP627, GLY628, TRP629, SER630, VAL653, TYR662, TYR666 |
| TPEVDK | Thr-1, Pro-2, Glu-3, Val-4, Lys-6 | 0.0034 | TYR48, VAL546, TRP627, GLY628, TRP629, SER630, HIS748, TYR752 |
| EALEK | Glu-1, Ala-2, Leu-3, Lys-5 | 0.0143 | PHE357, TYR547, SER630, TYR631, TYR634, VAL656, TRP659, TYR662, TYR666, VAL711, HIS740 |
| IPI | Ile-1, Pro-2, Ile-3 | 0.0025 | TYR48, VAL546, TYR547, TRP627, GLY628, TRP629, SER630, TYR631, TYR666, GLY741, HIS748, TYR752 |
*: P value presents the statistical significance. DPP-4 inhibitor IPI (Diprotin A) peptide was used as positive control (Song et al., 2017).