PPIRE04650
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 | Compound 2 |
|---|---|
| Peptide_Sequence | XXN |
| Peptide_Length | 3 |
| Peptide_SMILES | NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)O |
| Chemical_Modification | X1=phosphotyrosine; X2=alpha,alpha-cyclobutylglycine |
| 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 | 246.22 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.33333 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Hydrogen_Bond_Acceptors | 5 |
| Hydrogen_Bond_Donors | 5 |
| Topological_Polar_Surface_Area | 164.61000 |
| X_logP_energy | -3.49390 |
Interaction Information
| Affinity | Ka=4.30E+05 1/M |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | 3S8L |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area. |
| Release_Year | 2011 |
| PMID | 22007755 |
| DOI | 10.1021/ja2068752 |