PPIRE12275

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 Ac-4-R6
Peptide_Sequence EAQXQPGENLRRRRRR
Peptide_Length 16
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Chemical_Modification X4=di-fluorophosphonomethylphenylalanine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1979.20
Aliphatic_Index 30.62500
Aromaticity 0.00000
Average_Rotatable_Bonds 4.37500
Charge_at_pH_7 4.00151
Isoelectric_Point 12.50004
Number_of_Hydrogen_Bond_Acceptors 28
Number_of_Hydrogen_Bond_Donors 39
Topological_Polar_Surface_Area 1066.30000
X_logP_energy -14.77908
Interaction Information
Affinity IC50=5.53 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID 3ZMQ
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Development of accessible peptidic tool compounds to study the phosphatase PTP1B in intact cells.
Release_Year 2014
PMID 24387659
DOI 10.1021/cb400903u