PPIRE02685
Target Protein Information
| Protein_Name | Pol polyprotein |
|---|---|
| Protein_Sequence | AGLLAGSWIPDWTFVSVPPLVTLWYTLTKEPIPGEDVYYVDGACNRNSREGKAGYITQQGKQRVEKLENTTNQQAELTAIKMALEDSGPRVNIVTDSQYA |
| Organism_Source | Simian immunodeficiency virus agm.vervet (isolate AGM266) |
| Functional_Classification | Enzyme |
| Cellular_Localization | Cytoplasm |
| Gene_Names | pol |
| UniProt_ID | P12500 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | JG365 |
|---|---|
| Peptide_Sequence | SLNFXPIV |
| Peptide_Length | 8 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)N[C@H](C(=O)O)C(C)C |
| Chemical_Modification | X5=hydroxyethylamine isostere |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | other |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 845.99 |
|---|---|
| Aliphatic_Index | 133.75000 |
| Aromaticity | 0.12500 |
| Average_Rotatable_Bonds | 3.00000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 10 |
| Topological_Polar_Surface_Area | 321.55000 |
| X_logP_energy | -2.21190 |
Interaction Information
| Affinity | Ki=1.8 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | 7HVP |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease. |
| Release_Year | 1999 |
| PMID | 10387041 |
| DOI | 10.1021/bi990174x |