PPIRE15324
Target Protein Information
| Protein_Name | Gag polyprotein |
|---|---|
| Protein_Sequence | MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGLLETSEGCRQILGQLQPSLQTGSEELRSLYNTVATLYCVHQRIEIKDTKEALDKIEEEQNKSKKKAQQAAADTGHSNQVSQNYPIVQNIQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRVHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTNNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPAATLEEMMTACQGVGGPGHKARVLAEAMSQVTNSATIMMQRGNFRNQRKIVKCFNCGKEGHTARNCRAPRKKGCWKCGKEGHQMKDCTERQANFLGKIWPSYKGRPGNFLQSRPEPTAPPEESFRSGVETTTPPQKQEPIDKELYPLTSLRSLFGNDPSSQ |
| Organism_Source | Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) |
| Functional_Classification | capsid proteins |
| Cellular_Localization | Cytoplasm |
| Gene_Names | gag |
| UniProt_ID | P04591 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Stapled CAI peptide 1 |
|---|---|
| Peptide_Sequence | ISFXELLDYYXESGS |
| Peptide_Length | 15 |
| Peptide_SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)O |
| Chemical_Modification | X4=biphenyl cross-linker attached to D-cysteine; X11=biphenyl cross-linker attached to L-cysteine |
| Cyclization_Method | Side chain-side chain cyclization; X4<-->X11; other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1636.73 |
|---|---|
| Aliphatic_Index | 78.00000 |
| Aromaticity | 0.20000 |
| Average_Rotatable_Bonds | 3.46667 |
| Charge_at_pH_7 | -2.99972 |
| Isoelectric_Point | 3.42471 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 24 |
| Number_of_Hydrogen_Bond_Donors | 24 |
| Topological_Polar_Surface_Area | 683.77000 |
| X_logP_energy | -6.46150 |
Interaction Information
| Affinity | KD=17.5 uM |
|---|---|
| Affinity_Assay | Isothermal Titration Calorimetry |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Design of antiviral stapled peptides containing a biphenyl cross-linker |
| Release_Year | 2014 |
| PMID | 24613163 |
| DOI | 10.1016/j.bmcl.2014.02.038 |