PPIRE07382

Target Protein Information
Protein_Name Tyrosine-protein phosphatase non-receptor type 1
Protein_Sequence MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHNGKCREFFPNHQWVKEETQEDKDCPIKEEKGSPLNAAPYGIESMSQDTEVRSRVVGGSLRGAQAASPAKGEPSLPEKDEDHALSYWKPFLVNMCVATVLTAGAYLCYRFLFNSNT
Organism_Source Homo sapiens
Functional_Classification protein-tyrosine phosphatases
Cellular_Localization Cytoplasm
Gene_Names PTPN1
UniProt_ID P18031
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name cyclo(CH2CO-Asp-Ala-Asp-Glu-Tyr-Leu-Cys-amide)
Peptide_Sequence ADAEYLC
Peptide_Length 7
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C7<->N-term; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 783.85
Aliphatic_Index 84.28571
Aromaticity 0.14286
Average_Rotatable_Bonds 3.28571
Charge_at_pH_7 -2.06262
Isoelectric_Point 3.55007
Number_of_Hydrogen_Bond_Acceptors 12
Number_of_Hydrogen_Bond_Donors 12
Topological_Polar_Surface_Area 332.75000
X_logP_energy -2.38940
Interaction Information
Affinity Ki=800 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Potent inhibition of protein-tyrosine phosphatase by phosphotyrosine-mimic containing cyclic peptides.
Release_Year 1997
PMID 9043667
DOI 10.1016/s0968-0896(96)00195-2