PPIRE04046
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 di-N-benzylglycine(peptoid) |
|---|---|
| Peptide_Sequence | XX |
| Peptide_Length | 2 |
| Peptide_SMILES | NCC(=O)NCC(=O)O |
| Chemical_Modification | X1=N-benzylglycine; X2=N-benzylglycine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 132.12 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 1.50000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 3 |
| Number_of_Hydrogen_Bond_Donors | 3 |
| Topological_Polar_Surface_Area | 92.42000 |
| X_logP_energy | -1.85410 |
Interaction Information
| Affinity | IC50=60 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 |