PPIRE00708
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 | reverse transcriptases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | gag-pol |
| UniProt_ID | P04586 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | N4-(N-formyl-methionyl-leucyl-phenylalanyl)-2'-3'-dideoxy-3'-thiacytidine |
|---|---|
| Peptide_Sequence | MLF |
| Peptide_Length | 3 |
| Peptide_SMILES | CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| Chemical_Modification | N1=formyl |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Formyl |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 409.54 |
|---|---|
| Aliphatic_Index | 130.00000 |
| Aromaticity | 0.33333 |
| Average_Rotatable_Bonds | 4.00000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 5 |
| Number_of_Hydrogen_Bond_Donors | 4 |
| Topological_Polar_Surface_Area | 121.52000 |
| X_logP_energy | 1.40980 |
Interaction Information
| Affinity | IC50=8 uM |
|---|---|
| Affinity_Assay | syncytium formation assay |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Synthesis and Biological Evaluation of a New N4-(N-Formyl Peptide)-2',3'-Dideoxy-3'-Thiacytidine as Anti-HIV Prodrug |
| Release_Year | 1993 |
| PMID | None |
| DOI | 10.1080/07328319308019017 |