PPIRE10427

Target Protein Information
Protein_Name Tyrosine-protein kinase Fyn
Protein_Sequence MGCVQCKDKEATKLTEERDGSLNQSSGYRYGTDPTPQHYPSFGVTSIPNYNNFHAAGGQGLTVFGGVNSSSHTGTLRTRGGTGVTLFVALYDYEARTEDDLSFHKGEKFQILNSSEGDWWEARSLTTGETGYIPSNYVAPVDSIQAEEWYFGKLGRKDAERQLLSFGNPRGTFLIRESETTKGAYSLSIRDWDDMKGDHVKHYKIRKLDNGGYYITTRAQFETLQQLVQHYSERAAGLCCRLVVPCHKGMPRLTDLSVKTKDVWEIPRESLQLIKRLGNGQFGEVWMGTWNGNTKVAIKTLKPGTMSPESFLEEAQIMKKLKHDKLVQLYAVVSEEPIYIVTEYMNKGSLLDFLKDGEGRALKLPNLVDMAAQVAAGMAYIERMNYIHRDLRSANILVGNGLICKIADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELVTKGRVPYPGMNNREVLEQVERGYRMPCPQDCPISLHELMIHCWKKDPEERPTFEYLQSFLEDYFTATEPQYQPGENL
Organism_Source Homo sapiens
Functional_Classification kinases
Cellular_Localization Cytoplasm
Gene_Names FYN
UniProt_ID P06241
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name APP12
Peptide_Sequence APPLPPRNRPRL
Peptide_Length 12
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1383.66
Aliphatic_Index 73.33333
Aromaticity 0.00000
Average_Rotatable_Bonds 3.00000
Charge_at_pH_7 2.99797
Isoelectric_Point 12.80107
Number_of_Hydrogen_Bond_Acceptors 17
Number_of_Hydrogen_Bond_Donors 18
Topological_Polar_Surface_Area 568.26000
X_logP_energy -4.96059
Interaction Information
Affinity KD=240 uM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 4ZNX
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title The role of water molecules in the binding of class I and II peptides to the SH3 domain of the Fyn tyrosine kinase.
Release_Year 2016
PMID 27599862
DOI 10.1107/S2053230X16012310