PPIRE19428
Target Protein Information
| Protein_Name | Growth factor receptor-bound protein 2 |
|---|---|
| Protein_Sequence | MEAIAKYDFKATADDELSFKRGDILKVLNEECDQNWYKAELNGKDGFIPKNYIEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQVPQQPTYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTPVNRNV |
| Organism_Source | Homo sapiens |
| Functional_Classification | SH2 domain containing |
| Cellular_Localization | Cytoplasm |
| Gene_Names | GRB2 |
| UniProt_ID | P62993 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | cyclo(YVNFPhirpPRR) |
|---|---|
| Peptide_Sequence | YVNFrpPRR |
| Peptide_Length | 9 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O |
| Chemical_Modification | Phi5=L-2-naphthylalanine; r6=D-arginine; p7=D-proline |
| Cyclization_Method | Main chain-main chain cyclization; Y1<-->R10; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1261.45 |
|---|---|
| Aliphatic_Index | 29.00000 |
| Aromaticity | 0.20000 |
| Average_Rotatable_Bonds | 3.60000 |
| Charge_at_pH_7 | 2.99712 |
| Isoelectric_Point | 12.20421 |
|---|---|
| Hydrogen_Bond_Acceptors | 16 |
| Hydrogen_Bond_Donors | 20 |
| Topological_Polar_Surface_Area | 556.66000 |
| X_logP_energy | -5.08249 |
Interaction Information
| Affinity | IC50=10 uM |
|---|---|
| Affinity_Assay | Fluorescence Polarization |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Rational design of cell-permeable cyclic peptides containing a D-Pro-L-Pro motif |
| Release_Year | 2020 |
| PMID | 33069067 |
| DOI | 10.1016/j.bmc.2020.115711 |