PPIRE10786
Target Protein Information
| Protein_Name | None |
|---|---|
| Protein_Sequence | FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED |
| Organism_Source | Human immunodeficiency virus type 1 |
| Functional_Classification | integrases |
| Cellular_Localization | Nucleus |
| Gene_Names | None |
| UniProt_ID | Q76353 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | NL-6 |
|---|---|
| Peptide_Sequence | TAYFLLKLAGRW |
| Peptide_Length | 12 |
| 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](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)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 | 1438.74 |
|---|---|
| Aliphatic_Index | 114.16667 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 3.66667 |
| Charge_at_pH_7 | 1.99684 |
| Isoelectric_Point | 10.45492 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 17 |
| Number_of_Hydrogen_Bond_Donors | 20 |
| Topological_Polar_Surface_Area | 527.59000 |
| X_logP_energy | -0.77133 |
Interaction Information
| Affinity | IC50=21 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | 1K6Y |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Sequence-based design and discovery of peptide inhibitors of HIV-1 integrase: insight into the binding mode of the enzyme. |
| Release_Year | 2006 |
| PMID | 16854053 |
| DOI | 10.1021/jm060307u |