PPIRE18951
Target Protein Information
| Protein_Name | Pancreatic alpha-amylase |
|---|---|
| Protein_Sequence | MKFFLLLFTIGFCWAQYSPNTQQGRTSIVHLFEWRWVDIALECERYLAPKGFGGVQVSPPNENVAIYNPFRPWWERYQPVSYKLCTRSGNEDEFRNMVTRCNNVGVRIYVDAVINHMCGNAVSAGTSSTCGSYFNPGSRDFPAVPYSGWDFNDGKCKTGSGDIENYNDATQVRDCRLTGLLDLALEKDYVRSKIAEYMNHLIDIGVAGFRLDASKHMWPGDIKAILDKLHNLNSNWFPAGSKPFIYQEVIDLGGEPIKSSDYFGNGRVTEFKYGAKLGTVIRKWNGEKMSYLKNWGEGWGFVPSDRALVFVDNHDNQRGHGAGGASILTFWDARLYKMAVGFMLAHPYGFTRVMSSYRWPRQFQNGNDVNDWVGPPNNNGVIKEVTINPDTTCGNDWVCEHRWRQIRNMVIFRNVVDGQPFTNWYDNGSNQVAFGRGNRGFIVFNNDDWSFSLTLQTGLPAGTYCDVISGDKINGNCTGIKIYVSDDGKAHFSISNSAEDPFIAIHAESKL |
| Organism_Source | Homo sapiens |
| Functional_Classification | glycosidases |
| Cellular_Localization | Extracellular |
| Gene_Names | AMY2A |
| UniProt_ID | P04746 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | piHA-L26(9?17) |
|---|---|
| Peptide_Sequence | RWINYNP |
| Peptide_Length | 7 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 962.08 |
|---|---|
| Aliphatic_Index | 55.71429 |
| Aromaticity | 0.28571 |
| Average_Rotatable_Bonds | 3.71429 |
| Charge_at_pH_7 | 0.99713 |
| Isoelectric_Point | 9.34881 |
|---|---|
| Hydrogen_Bond_Acceptors | 12 |
| Hydrogen_Bond_Donors | 14 |
| Topological_Polar_Surface_Area | 413.23000 |
| X_logP_energy | -2.45423 |
Interaction Information
| Affinity | Ki=5000 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Folding Then Binding vs Folding Through Binding in Macrocyclic Peptide Inhibitors of Human Pancreatic Alpha-Amylase |
| Release_Year | 2019 |
| PMID | 31241898 |
| DOI | 10.1021/acschembio.9b00290 |