PPIRE07475
Target Protein Information
| Protein_Name | Growth factor receptor-bound protein 2 |
|---|---|
| Protein_Sequence | MEAIAKYDFKATADDELSFKRGDILKVLNEECDQNWYKAELNGKDGFIPKNYIEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQVPQQPTYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTPVNRNV |
| Organism_Source | Homo sapiens |
| Functional_Classification | SH2 domain |
| Cellular_Localization | Cytoplasm |
| Gene_Names | GRB2 |
| UniProt_ID | P62993 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | 3a |
|---|---|
| Peptide_Sequence | XLYXNXC |
| Peptide_Length | 7 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CS)C(=O)O |
| Chemical_Modification | X1=Adi; X4=alpha-aminocyclohexanecarboxylic acid; X6=5-aminovaleric acid |
| Cyclization_Method | Main chain-side chain cyclization; X1<->C7; other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 682.75 |
|---|---|
| Aliphatic_Index | 55.71429 |
| Aromaticity | 0.14286 |
| Average_Rotatable_Bonds | 2.85714 |
| Charge_at_pH_7 | -0.06484 |
| Isoelectric_Point | 5.91950 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 11 |
| Topological_Polar_Surface_Area | 301.24000 |
| X_logP_energy | -3.99910 |
Interaction Information
| Affinity | KD=77 uM |
|---|---|
| Affinity_Assay | Surface plasmon resonance |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Utilization of 3'-carboxy-containing tyrosine derivatives as a new class of phosphotyrosyl mimetics in the preparation of novel non-phosphorylated cyclic peptide inhibitors of the Grb2-SH2 domain. |
| Release_Year | 2006 |
| PMID | 16467940 |
| DOI | 10.1039/b515432d |