PPIRE16022
Target Protein Information
| Protein_Name | Protein PA-X |
|---|---|
| Protein_Sequence | AEKAMKEYGEDPKIETNKFAAICTHLEVCFMYSDFHFIDERGESIIVESGDPNALLKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFIEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESRARIKTRLFTIRQEMASRSLWDSFRQSERGEETIEEKFEITGTMRKLADQSLPPNFPSLENFRAYVDGFEPNGCIEGKLSQMSKEVNAKIEPFLRTTPRPLRLPDGPLCHQRSKFLLMDALKLSIEDPSHEGEGIPLYDAIKCMKTFFGWKEPNIVKPHEKGINPNYLMAWKQVLAELQDIENEEKIPRTKNMKRTSQLKWALGENMAPEKVDFDDCKDVGDLKQYDSDEPEPRSLASWVQNEFNKACELTDSSWIELDEIGEDVAPIEHIASMRRNYFTAEVSHCRATEYIMKGVYINTALLNASCAAMDDFQLIPMISKCRTKEGRRKTNLYGFIIKGRSHLRNDTDVVNFVSMEFSLTDPRLEPHKWEKYCVLEIGDMLLRTAIGQVSRPMFLYVRTNGTSKIKMKWGMEMRRCLLQSLQQIESMIEAESSVKEKDMTKEFFENKSETWPIGESPRGVEEGSIGKVCRTLLAKSVFNSLYASPQLEGFSAESRKLLLIVQALRD |
| Organism_Source | Influenza A virus |
| Functional_Classification | RNA dependent RNA polymerases |
| Cellular_Localization | Nucleus |
| Gene_Names | PA |
| UniProt_ID | U3M8F9 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | PB1-1 |
|---|---|
| Peptide_Sequence | MDVNPTLLFLKIP |
| Peptide_Length | 13 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCSC)C(C)C)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1500.86 |
|---|---|
| Aliphatic_Index | 142.30769 |
| Aromaticity | 0.07692 |
| Average_Rotatable_Bonds | 3.53846 |
| Charge_at_pH_7 | -0.00186 |
| Isoelectric_Point | 6.33737 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 19 |
| Number_of_Hydrogen_Bond_Donors | 16 |
| Topological_Polar_Surface_Area | 521.58000 |
| X_logP_energy | -1.07560 |
Interaction Information
| Affinity | IC50=22 nM |
|---|---|
| Affinity_Assay | AlphaScreen |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Structural characterization of the interaction between the C-terminal domain of the influenza polymerase PA subunit and an optimized small peptide inhibitor |
| Release_Year | 2021 |
| PMID | 33166574 |
| DOI | 10.1016/j.antiviral.2020.104971 |