PPIRE00315
Target Protein Information
| Protein_Name | Proteasome subunit beta type-5 |
|---|---|
| Protein_Sequence | MALASVLERPLPVNQRGFFGLGGRADLLDLGPGSLSDGLSLAAPGWGVPEEPGIEMLHGTTTLAFKFRHGVIVAADSRATAGAYIASQTVKKVIEINPYLLGTMAGGAADCSFWERLLARQCRIYELRNKERISVAAASKLLANMVYQYKGMGLSMGTMICGWDKRGPGLYYVDSEGNRISGATFSVGSGSVYAYGVMDRGYSYDLEVEQAYDLARRAIYQATYRDAYSGGAVNLYHVREDGWIRVSSDNVADLHEKYSGSTP |
| Organism_Source | Homo sapiens |
| Functional_Classification | Proteasome subunit |
| Cellular_Localization | Cytoplasm |
| Gene_Names | PSMB5 |
| UniProt_ID | P28074 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Compound 1 |
|---|---|
| Peptide_Sequence | FLLD |
| Peptide_Length | 4 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | F1<->D4; Side chain cyclization; Amide bond; D*: Asp Side chain carboxyl group link Leu-VE(Acetylleucine vinyl ester) |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Vinyl ester |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 506.60 |
|---|---|
| Aliphatic_Index | 195.00000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 3.75000 |
| Charge_at_pH_7 | -1.00157 |
| Isoelectric_Point | 3.74999 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 6 |
| Number_of_Hydrogen_Bond_Donors | 6 |
| Topological_Polar_Surface_Area | 187.92000 |
| X_logP_energy | 0.66230 |
Interaction Information
| Affinity | IC50=2300 nM |
|---|---|
| Affinity_Assay | Fluorescence-Based Inhibition Assay |
| PDB_ID | None |
| Type | Agonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Vinyl ester-based cyclic peptide proteasome inhibitors. |
| Release_Year | 2008 |
| PMID | 18294845 |
| DOI | 10.1016/j.bmcl.2008.02.016 |