PPIRE08162

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(Gly-Asp-Ala-Asp-Glu-OMT-Leu-Gly)
Peptide_Sequence GADAEXLG
Peptide_Length 8
Peptide_SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)CN)C(=O)NCC(=O)O
Chemical_Modification X6=O-malonyltyrosine
Cyclization_Method Main chain-main chain cyclization; G1<->G8; amide bond
Linear/Cyclic Cyclic
N-terminal_Modification None
C-terminal_Modification None
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 688.69
Aliphatic_Index 73.75000
Aromaticity 0.00000
Average_Rotatable_Bonds 2.75000
Charge_at_pH_7 -1.99979
Isoelectric_Point 3.55007
Number_of_Hydrogen_Bond_Acceptors 11
Number_of_Hydrogen_Bond_Donors 11
Topological_Polar_Surface_Area 341.62000
X_logP_energy -4.88850
Interaction Information
Affinity Ki=2.6 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