PPIRE04610

Target Protein Information
Protein_Name Proto-oncogene tyrosine-protein kinase Src
Protein_Sequence MGSNKSKPKDASQRRRSLEPAENVHGAGGGAFPASQTPSKPASADGHRGPSAAFAPAAAEPKLFGGFNSSDTVTSPQRAGPLAGGVTTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLSTGQTGYIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRLTTVCPTSKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVTEYMSKGSLLDFLKGETGKYLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYRMPCPPECPESLHDLMCQCWRKEPEERPTFEYLQAFLEDYFTSTEPQYQPGENL
Organism_Source Homo sapiens
Functional_Classification protein tyrosine kinases
Cellular_Localization Cytoplasm
Gene_Names SRC
UniProt_ID P12931
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Compound 3
Peptide_Sequence XMX
Peptide_Length 3
Peptide_SMILES CSCC[C@H](NC(=O)CN)C(=O)NCC(=O)O
Chemical_Modification X1=N-acetylphosphotyrosine; X3=pentylamine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 263.31
Aliphatic_Index 0.00000
Aromaticity 0.00000
Average_Rotatable_Bonds 2.66667
Charge_at_pH_7 -0.00202
Isoelectric_Point 6.10000
Hydrogen_Bond_Acceptors 5
Hydrogen_Bond_Donors 4
Topological_Polar_Surface_Area 121.52000
X_logP_energy -1.61620
Interaction Information
Affinity KD=1.4 uM
Affinity_Assay Isothermal titration calorimetry
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Peptide ligands of pp60(c-src)SH2 domains: a thermodynamic and structural study.
Release_Year 1997
PMID 9174343
DOI 10.1021/bi970019n