PPIRE02494

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 10
Peptide_Sequence YXYGSFCKK
Peptide_Length 9
Peptide_SMILES NCCCC[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)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
Chemical_Modification X2=penicillamine
Cyclization_Method X2<->C7, side chain cyclization, disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1052.21
Aliphatic_Index 0.00000
Aromaticity 0.33333
Average_Rotatable_Bonds 3.66667
Charge_at_pH_7 1.93372
Isoelectric_Point 9.27496
Number_of_Hydrogen_Bond_Acceptors 16
Number_of_Hydrogen_Bond_Donors 16
Topological_Polar_Surface_Area 408.85000
X_logP_energy -3.14110
Interaction Information
Affinity IC50=26 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