PPIRE08647
Target Protein Information
| Protein_Name | Growth factor receptor-bound protein 2 |
|---|---|
| Protein_Sequence | MEAIAKYDFKATADDELSFKRGDILKVLNEECDQNWYKAELNGKDGFIPKNYIEMKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQVPQQPTYVQALFDFDPQEDGELGFRRGDFIHVMDNSDPNWWKGACHGQTGMFPRNYVTPVNRNV |
| Organism_Source | Homo sapiens |
| Functional_Classification | SH2 domain-containing protein |
| Cellular_Localization | Cytoplasm |
| Gene_Names | GRB2 |
| UniProt_ID | P62993 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | PSpYVNVQN |
|---|---|
| Peptide_Sequence | PSpYVNVQN |
| Peptide_Length | 9 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1017.11 |
|---|---|
| Aliphatic_Index | 64.44444 |
| Aromaticity | 0.11111 |
| Average_Rotatable_Bonds | 3.11111 |
| Charge_at_pH_7 | -0.00287 |
| Isoelectric_Point | 6.09320 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 15 |
| Number_of_Hydrogen_Bond_Donors | 14 |
| Topological_Polar_Surface_Area | 443.07000 |
| X_logP_energy | -5.52350 |
Interaction Information
| Affinity | IC50=210 nM |
|---|---|
| Affinity_Assay | ELISA |
| PDB_ID | 1JYR |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Crystal structures of the SH2 domain of Grb2: highlight on the binding of a new high-affinity inhibitor. |
| Release_Year | 2002 |
| PMID | 11827484 |
| DOI | 10.1006/jmbi.2001.5299 |