PPIRE07655
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 | Compound 2 |
|---|---|
| Peptide_Sequence | FMXXXEXL |
| Peptide_Length | 8 |
| Peptide_SMILES | CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O |
| Chemical_Modification | X3=alpha-aminoisobutyric acid; X4=phosphonomethylphenylalanine; X5=6-chlorotryptophan; X7=1-aminocyclopropanecarboxylic acid |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 766.87 |
|---|---|
| Aliphatic_Index | 48.75000 |
| Aromaticity | 0.12500 |
| Average_Rotatable_Bonds | 3.12500 |
| Charge_at_pH_7 | -1.00024 |
| Isoelectric_Point | 3.84998 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 10 |
| Topological_Polar_Surface_Area | 304.32000 |
| X_logP_energy | -2.77580 |
Interaction Information
| Affinity | KD=7 nM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | 2GV2 |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Crystal Structures of Human MdmX (HdmX)in Complex with p53 Peptide Analogues Reveal Surprising Conformational Changes. |
| Release_Year | 2009 |
| PMID | 19153082 |
| DOI | 10.1074/jbc.M809096200 |