PPIRE00328
Target Protein Information
| Protein_Name | Proteasome subunit beta type-2 |
|---|---|
| Protein_Sequence | MEYLIGIQGPDYVLVASDRVAASNIVQMKDDHDKMFKMSEKILLLCVGEAGDTVQFAEYIQKNVQLYKMRNGYELSPTAAANFTRRNLADCLRSRTPYHVNLLLAGYDEHEGPALYYMDYLAALAKAPFAAHGYGAFLTLSILDRYYTPTISRERAVELLRKCLEELQKRFILNLPTFSVRIIDKNGIHDLDNISFPKQGS |
| Organism_Source | Homo sapiens |
| Functional_Classification | Proteasome subunit |
| Cellular_Localization | Cytoplasm |
| Gene_Names | PSMB2 |
| UniProt_ID | P49721 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Compound 6 |
|---|---|
| Peptide_Sequence | FVSD |
| Peptide_Length | 4 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)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 Main 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 | 466.49 |
|---|---|
| Aliphatic_Index | 72.50000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 3.25000 |
| Charge_at_pH_7 | -1.00157 |
| Isoelectric_Point | 3.74999 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 7 |
| Number_of_Hydrogen_Bond_Donors | 7 |
| Topological_Polar_Surface_Area | 208.15000 |
| X_logP_energy | -1.78160 |
Interaction Information
| Affinity | IC50=0.44 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 |