PPIRE02514
Target Protein Information
| Protein_Name | Proto-oncogene tyrosine-protein kinase Src |
|---|---|
| Protein_Sequence | MGSNKSKPKDASQRRRSLEPAENVHGAGGGAFPASQTPSKPASADGHRGPSAAFAPAAAEPKLFGGFNSSDTVTSPQRAGPLAGGVTTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLSTGQTGYIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRLTTVCPTSKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVTEYMSKGSLLDFLKGETGKYLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYRMPCPPECPESLHDLMCQCWRKEPEERPTFEYLQAFLEDYFTSTEPQYQPGENL |
| Organism_Source | Homo sapiens |
| Functional_Classification | Enzyme |
| Cellular_Localization | Plasma membrane |
| Gene_Names | SRC |
| UniProt_ID | P12931 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | peptide 30 |
|---|---|
| Peptide_Sequence | YxXGSFCKR |
| Peptide_Length | 9 |
| Peptide_SMILES | N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O |
| Chemical_Modification | x2=D-penicillamine;X3=3,5-diiodotyrosine |
| Cyclization_Method | x2<->C7, side chain cyclization, disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 974.10 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.22222 |
| Average_Rotatable_Bonds | 3.44444 |
| Charge_at_pH_7 | 1.93486 |
| Isoelectric_Point | 9.44787 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 15 |
| Number_of_Hydrogen_Bond_Donors | 17 |
| Topological_Polar_Surface_Area | 424.50000 |
| X_logP_energy | -5.32373 |
Interaction Information
| Affinity | IC50=0.54 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Discovery of a novel series of potent and selective substrate-based inhibitors of p60c-src protein tyrosine kinase: conformational and topographical constraints in peptide design |
| Release_Year | 1998 |
| PMID | 9632358 |
| DOI | 10.1021/jm9707885 |