PPIRE10733

Target Protein Information
Protein_Name Mitogen-activated protein kinase 8
Protein_Sequence MSRSKRDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDLEERTKNGVIRGQPSPLGAAVINGSQHPSSSSSVNDVSSMSTDPTLASDTDSSLEAAAGPLGCCR
Organism_Source Homo sapiens
Functional_Classification MAP kinases
Cellular_Localization Cytoplasm
Gene_Names MAPK8
UniProt_ID P45983
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name D2 docking site
Peptide_Sequence QRPRPTLQLPLA
Peptide_Length 12
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)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 1389.66
Aliphatic_Index 105.83333
Aromaticity 0.00000
Average_Rotatable_Bonds 3.41667
Charge_at_pH_7 1.99798
Isoelectric_Point 12.50011
Number_of_Hydrogen_Bond_Acceptors 18
Number_of_Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 587.26000
X_logP_energy -5.15376
Interaction Information
Affinity KD=7.9 uM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 4UX9
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Structure and dynamics of the MKK7-JNK signaling complex.
Release_Year 2015
PMID 25737554
DOI 10.1073/pnas.1419528112