PPIRE12643
Target Protein Information
| Protein_Name | Dipeptidyl peptidase 4 |
|---|---|
| Protein_Sequence | MKTPWKVLLGLLGAAALVTIITVPVVLLNKGTDDATADSRKTYTLTDYLKNTYRLKLYSLRWISDHEYLYKQENNILVFNAEYGNSSVFLENSTFDEFGHSINDYSISPDGQFILLEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWVTWSPVGHKLAYVWNNDIYVKIEPNLPSYRITWTGKEDIIYNGITDWVYEEEVFSAYSALWWSPNGTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVRVPYPKAGAVNPTVKFFVVNTDSLSSVTNATSIQITAPASMLIGDHYLCDVTWATQERISLQWLRRIQNYSVMDICDYDESSGRWNCLVARQHIEMSTTGWVGRFRPSEPHFTLDGNSFYKIISNEEGYRHICYFQIDKKDCTFITKGTWEVIGIEALTSDYLYYISNEYKGMPGGRNLYKIQLSDYTKVTCLSCELNPERCQYYSVSFSKEAKYYQLRCSGPGLPLYTLHSSVNDKGLRVLEDNSALDKMLQNVQMPSKKLDFIILNETKFWYQMILPPHFDKSKKYPLLLDVYAGPCSQKADTVFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTFEVEDQIEAARQFSKMGFVDNKRIAIWGWSYGGYVTSMVLGSGSGVFKCGIAVAPVSRWEYYDSVYTERYMGLPTPEDNLDHYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDVGVDFQAMWYTDEDHGIASSTAHQHIYTHMSHFIKQCFSLP |
| Organism_Source | Homo sapiens |
| Functional_Classification | serine proteases |
| Cellular_Localization | Plasma membrane |
| Gene_Names | DPP4 |
| UniProt_ID | P27487 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | PEP1 |
|---|---|
| Peptide_Sequence | LSICGEESFGTGSDHIR |
| Peptide_Length | 17 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1807.95 |
|---|---|
| Aliphatic_Index | 68.82353 |
| Aromaticity | 0.05882 |
| Average_Rotatable_Bonds | 3.52941 |
| Charge_at_pH_7 | -1.96909 |
| Isoelectric_Point | 4.42142 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 28 |
| Number_of_Hydrogen_Bond_Donors | 30 |
| Topological_Polar_Surface_Area | 812.32000 |
| X_logP_energy | -10.84883 |
Interaction Information
| Affinity | KD=6.426 uM |
|---|---|
| Affinity_Assay | MicroScale Thermophoresis |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Generation, characterization and molecular binding mechanism of novel dipeptidyl peptidase-4 inhibitory peptides from sorghum bicolor seed protein. |
| Release_Year | 2021 |
| PMID | 34474286 |
| DOI | 10.1016/j.foodchem.2021.130888 |