PPIRE00379
Target Protein Information
| Protein_Name | Beta-secretase 1 |
|---|---|
| Protein_Sequence | MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK |
| Organism_Source | Homo sapiens |
| Functional_Classification | Protease |
| Cellular_Localization | Plasma membrane |
| Gene_Names | BACE1 |
| UniProt_ID | P56817 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | KMI360 |
|---|---|
| Peptide_Sequence | RVVXA |
| Peptide_Length | 5 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)O |
| Chemical_Modification | X4=4-amino-3-hydroxy-6-methylheptanoic acid |
| 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 | 500.60 |
|---|---|
| Aliphatic_Index | 136.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.00000 |
| Charge_at_pH_7 | 0.99798 |
| Isoelectric_Point | 10.55000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 7 |
| Number_of_Hydrogen_Bond_Donors | 9 |
| Topological_Polar_Surface_Area | 241.62000 |
| X_logP_energy | -2.43593 |
Interaction Information
| Affinity | KD=6500 nM |
|---|---|
| Affinity_Assay | Surface plasmon resonance |
| PDB_ID | None |
| Type | Agonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Binding of beta-secretase to a peptide inhibitor-carrying SAM. |
| Release_Year | 2010 |
| PMID | 20338731 |
| DOI | 10.1016/j.colsurfb.2010.02.022 |