PPIRE10136

Target Protein Information
Protein_Name Mitogen-activated protein kinase 8
Protein_Sequence MSRSKRDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDLEERTKNGVIRGQPSPLGAAVINGSQHPSSSSSVNDVSSMSTDPTLASDTDSSLEAAAGPLGCCR
Organism_Source Homo sapiens
Functional_Classification kinases
Cellular_Localization Cytoplasm
Gene_Names MAPK8
UniProt_ID P45983
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name pepJIP1
Peptide_Sequence RPKRPTTLNLF
Peptide_Length 11
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)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 1342.61
Aliphatic_Index 70.90909
Aromaticity 0.09091
Average_Rotatable_Bonds 3.72727
Charge_at_pH_7 2.99768
Isoelectric_Point 12.51648
Number_of_Hydrogen_Bond_Acceptors 18
Number_of_Hydrogen_Bond_Donors 20
Topological_Polar_Surface_Area 570.11000
X_logP_energy -5.11386
Interaction Information
Affinity KD=9.1 mM
Affinity_Assay Isothermal titration calorimetry
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125.
Release_Year 2004
PMID 15141161
DOI 10.1038/sj.emboj.7600212