PPIRE01597
Target Protein Information
| Protein_Name | Non-structural protein 3 |
|---|---|
| Protein_Sequence | MNNGQATITRNGGRFEIRCRHLDRDYTMPLPNATSNDNFLDCIKFITECVGFDYVSSGFKLIANVNDFQHLNGNSTLLIGKTKIGPLILKKVRSLPCCNDALFRNEFRILAKMHGILRLKNDVNGHKYGIILERCYKPKINFSNFVTAINDLDVFHSSNQHLLHGDANPDNIMSDSEGYLKLVDPVCLLENQVNMVNIEYESLTQEAEKKVFINSLLQLVEKQMSATIDEIYVNLKEVNPSFNLEHGLKLSDLLDNIDVYNSDHWKLMLNHRPMMPELSVLNDLTYYDTGEVRDLVTEDLDDEDDV |
| Organism_Source | Banna virus |
| Functional_Classification | Viral envelope proteins |
| Cellular_Localization | Cytoplasm |
| Gene_Names | Segment-7 |
| UniProt_ID | Q9YWQ0 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | C16-KGK-C16 |
|---|---|
| Peptide_Sequence | KGK |
| Peptide_Length | 3 |
| Peptide_SMILES | NCCCC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Other |
| C-terminal_Modification | other |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 331.42 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 4.33333 |
| Charge_at_pH_7 | 1.99739 |
| Isoelectric_Point | 10.80538 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 6 |
| Number_of_Hydrogen_Bond_Donors | 6 |
| Topological_Polar_Surface_Area | 173.56000 |
| X_logP_energy | -1.74270 |
Interaction Information
| Affinity | IC50=2.1 uM |
|---|---|
| Affinity_Assay | NMR chemical shift perturbation |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Cationic Geminoid Peptide Amphiphiles Inhibit DENV2 Protease, Furin, and Viral Replication. |
| Release_Year | 2022 |
| PMID | 35630694 |
| DOI | 10.3390/molecules27103217 |