PPIRE08193
Target Protein Information
| Protein_Name | Gag-Pol polyprotein |
|---|---|
| Protein_Sequence | IPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIIDIIATDIQTKELQKQITKIQNFRVYYRDSRDPIWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED |
| Organism_Source | Human immunodeficiency virus type 1 group M subtype D (isolate Z6) |
| Functional_Classification | integrases |
| Cellular_Localization | Nucleus |
| Gene_Names | gag-pol |
| UniProt_ID | P04586 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Peptide 2 |
|---|---|
| Peptide_Sequence | SLKIDNLD |
| Peptide_Length | 8 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Main chain-main chain cyclization; S1<->D8; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | None |
| C-terminal_Modification | None |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 917.03 |
|---|---|
| Aliphatic_Index | 146.25000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 4.00000 |
| Charge_at_pH_7 | -1.00142 |
| Isoelectric_Point | 4.10925 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 14 |
| Number_of_Hydrogen_Bond_Donors | 14 |
| Topological_Polar_Surface_Area | 430.96000 |
| X_logP_energy | -4.12370 |
Interaction Information
| Affinity | IC50=85.2 mM |
|---|---|
| Affinity_Assay | proximity AlphaScreen assay |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site. |
| Release_Year | 2011 |
| PMID | 21850718 |
| DOI | 10.1002/cbic.201100350 |