PPIRE15038
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 | Mollamide F |
|---|---|
| Peptide_Sequence | FPPVIX |
| Peptide_Length | 6 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)NCC(=O)O |
| Chemical_Modification | X6=thiazoline |
| Cyclization_Method | Main chain-main chain cyclization; F1<->X6; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | None |
| C-terminal_Modification | None |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 628.77 |
|---|---|
| Aliphatic_Index | 113.33333 |
| Aromaticity | 0.16667 |
| Average_Rotatable_Bonds | 2.33333 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 7 |
| Number_of_Hydrogen_Bond_Donors | 5 |
| Topological_Polar_Surface_Area | 191.24000 |
| X_logP_energy | 0.41090 |
Interaction Information
| Affinity | IC50=39 uM |
|---|---|
| Affinity_Assay | HIV integrase inhibition assay |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Thiazoline peptides and a tris-phenethyl urea from Didemnum molle with anti-HIV activity. |
| Release_Year | 2012 |
| PMID | 22845329 |
| DOI | 10.1021/np300270p |