PPIRE08018
Target Protein Information
| Protein_Name | Gag-Pol polyprotein |
|---|---|
| Protein_Sequence | IPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIIDIIATDIQTKELQKQITKIQNFRVYYRDSRDPIWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED |
| Organism_Source | Human immunodeficiency virus type 1 group M subtype D (isolate Z6) |
| Functional_Classification | aspartic protease |
| Cellular_Localization | Cytoplasm |
| Gene_Names | gag-pol |
| UniProt_ID | P04586 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | U-85548e |
|---|---|
| Peptide_Sequence | VSQNXXIV |
| Peptide_Length | 8 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H](C(=O)O)C(C)C |
| Chemical_Modification | X5=hydroxyethylene isostere (S configuration); X6=desamino-methylene valine |
| 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 | 772.86 |
|---|---|
| Aliphatic_Index | 121.25000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.12500 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 12 |
| Number_of_Hydrogen_Bond_Donors | 12 |
| Topological_Polar_Surface_Area | 373.43000 |
| X_logP_energy | -5.45400 |
Interaction Information
| Affinity | Ki=1 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Enolpyruvate: chemical determination as a pyruvate kinase intermediate. |
| Release_Year | 1991 |
| PMID | 1988060 |
| DOI | 10.1021/bi00217a022 |