PPIRE05231
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 | aspartic proteases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | gag-pol |
| UniProt_ID | P12498 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Z-Pns-Phe-Glu-Glu-NH2 |
|---|---|
| Peptide_Sequence | XFEE |
| Peptide_Length | 4 |
| Peptide_SMILES | NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| Chemical_Modification | X1=phenylnorstatine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Benzyloxycarbonyl |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 480.47 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 3.75000 |
| Charge_at_pH_7 | -1.99847 |
| Isoelectric_Point | 3.61369 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 7 |
| Number_of_Hydrogen_Bond_Donors | 7 |
| Topological_Polar_Surface_Area | 225.22000 |
| X_logP_energy | -1.54360 |
Interaction Information
| Affinity | Ki=0.11 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | A phenylnorstatine inhibitor binding to HIV-1 protease: geometry, protonation, and subsite-pocket interactions analyzed at atomic resolution. |
| Release_Year | 2004 |
| PMID | 15056001 |
| DOI | 10.1021/jm031105q |