PPIRE16637
Target Protein Information
| Protein_Name | E3 ubiquitin-protein ligase Mdm2 |
|---|---|
| Protein_Sequence | MCNTNMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVNQQESSDSGTSVSENRCHLEGGSDQKDLVQELQEEKPSSSHLVSRPSTSSRRRAISETEENSDELSGERQRKRHKSDSISLSFDESLALCVIREICCERSSSSESTGTPSNPDLDAGVSEHSGDWLDQDSVSDQFSVEFEVESLDSEDYSLSEEGQELSDEDDEVYQVTVYQAGESDTDSFEEDPEISLADYWKCTSCNEMNPPLPSHCNRCWALRENWLPEDKGKDKGEISEKAKLENSTQAEEGFDVPDCKKTIVNDSRESCVEENDDKITQASQSQESEDYSQPSTSSSIIYSSQEDVKEFEREETQDKEESVESSLPLNAIEPCVICQGRPKNGCIVHGKTGHLMACFTCAKKLKKRNKPCPVCRQPIQMIVLTYFP |
| Organism_Source | Homo sapiens |
| Functional_Classification | E3 ubiquitin ligases |
| Cellular_Localization | Nucleus |
| Gene_Names | MDM2 |
| UniProt_ID | Q00987 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | p53(19-25) |
|---|---|
| Peptide_Sequence | FSDLWKL |
| Peptide_Length | 7 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 908.06 |
|---|---|
| Aliphatic_Index | 111.42857 |
| Aromaticity | 0.28571 |
| Average_Rotatable_Bonds | 4.00000 |
| Charge_at_pH_7 | -0.00186 |
| Isoelectric_Point | 6.33737 |
|---|---|
| Hydrogen_Bond_Acceptors | 11 |
| Hydrogen_Bond_Donors | 12 |
| Topological_Polar_Surface_Area | 337.26000 |
| X_logP_energy | -0.03800 |
Interaction Information
| Affinity | KD=150 uM |
|---|---|
| Affinity_Assay | binding assay |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | HOPPI-NMR: Hot-Peptide-Based Screening Assay for Inhibitors of Protein-1rotein Interactions by NMR |
| Release_Year | 2020 |
| PMID | 32435424 |
| DOI | 10.1021/acsmedchemlett.9b00620 |