PPIRE18240
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 | pb-13 |
|---|---|
| Peptide_Sequence | GCPCIWPELCPWIRSC |
| Peptide_Length | 16 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)CN)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Multi-point cyclization; C2<-->C16; disulfide bond; C4<-->C10; disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1863.26 |
|---|---|
| Aliphatic_Index | 73.12500 |
| Aromaticity | 0.12500 |
| Average_Rotatable_Bonds | 3.12500 |
| Charge_at_pH_7 | -0.24814 |
| Isoelectric_Point | 6.01781 |
|---|---|
| Hydrogen_Bond_Acceptors | 24 |
| Hydrogen_Bond_Donors | 25 |
| Topological_Polar_Surface_Area | 624.46000 |
| X_logP_energy | -2.75383 |
Interaction Information
| Affinity | Ki=74 nM |
|---|---|
| Affinity_Assay | Fluorescence Polarization |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Ordered and Isomerically-Stable Bicyclic Peptide Scaffolds Constrained through Cystine Bridges and Proline Turns |
| Release_Year | 2018 |
| PMID | 30770638 |
| DOI | 10.1002/cbic.201800788 |