PPIRE11180
Target Protein Information
| Protein_Name | None |
|---|---|
| Protein_Sequence | FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED |
| Organism_Source | Human immunodeficiency virus type 1 |
| Functional_Classification | endonucleases |
| Cellular_Localization | Nucleus |
| Gene_Names | None |
| UniProt_ID | Q76353 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | a1S |
|---|---|
| Peptide_Sequence | QETAYFLLKLAGR |
| Peptide_Length | 13 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=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 | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1509.77 |
|---|---|
| Aliphatic_Index | 105.38462 |
| Aromaticity | 0.15385 |
| Average_Rotatable_Bonds | 3.84615 |
| Charge_at_pH_7 | 0.99861 |
| Isoelectric_Point | 9.29736 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 20 |
| Number_of_Hydrogen_Bond_Donors | 22 |
| Topological_Polar_Surface_Area | 621.29000 |
| X_logP_energy | -3.88023 |
Interaction Information
| Affinity | IC50=150 mM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Interfacial peptide inhibitors of HIV-1 integrase activity and dimerization. |
| Release_Year | 2003 |
| PMID | 12643937 |
| DOI | 10.1016/S0960-894X(03)00040-4 |