PPIRE04083
Target Protein Information
| Protein_Name | Gag-Pol polyprotein |
|---|---|
| Protein_Sequence | MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPSLLETSEGCRQILGQLQPSLQTGSEELKSLFNTVATLYCVHQRIEVKDTKEALEKIEEEQNKSKKKAQQAAADTGNSSKVSQNYPIVQNIQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPAQAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTSNPPIPVGEIYKRWIILGLNKIVRMYSPSSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPAATLEEMMTACQGVGGPGHKARVLAEAMSQVTNSTTIMMQRGNFRNQRKIIKCFNCGKEGHLARNCRAPRKKGCWKCGKEGHQMKDCNERQANFLREDLAFLQGKAREFSSEQTRANSPSRGELQVWGRDNNPLSEAGAERQGTVSFSFPQITLWQRPLVTLKIGGQLKEALLDTGADDTVLEEMNSPGRWKP |
| Organism_Source | Human immunodeficiency virus type 1 group M subtype B (isolate JH32) |
| Functional_Classification | proteases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | gag-pol |
| UniProt_ID | P12498 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | PCU cage diol dityrosine |
|---|---|
| Peptide_Sequence | YY |
| Peptide_Length | 2 |
| Peptide_SMILES | N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 344.37 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 1.00000 |
| Average_Rotatable_Bonds | 3.50000 |
| Charge_at_pH_7 | -0.00372 |
| Isoelectric_Point | 6.08660 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 5 |
| Number_of_Hydrogen_Bond_Donors | 5 |
| Topological_Polar_Surface_Area | 132.88000 |
| X_logP_energy | 0.77970 |
Interaction Information
| Affinity | IC50=10 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Novel PCU cage diol peptides as potential targets against wild-type CSA HIV-1 protease: synthesis, biological screening and molecular modelling studies |
| Release_Year | 2013 |
| PMID | None |
| DOI | 10.1007/s00044-012-0350-1 |