PPIRE09923

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 SAB
Peptide_Sequence AVVRPGSLDLP
Peptide_Length 11
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=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 1123.32
Aliphatic_Index 132.72727
Aromaticity 0.00000
Average_Rotatable_Bonds 2.90909
Charge_at_pH_7 -0.00157
Isoelectric_Point 6.33872
Hydrogen_Bond_Acceptors 15
Hydrogen_Bond_Donors 15
Topological_Polar_Surface_Area 456.17000
X_logP_energy -3.95553
Interaction Information
Affinity IC50=612 uM
Affinity_Assay TR-FRET assay
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Structural mechanisms of allostery and autoinhibition in JNK family kinases.
Release_Year 2012
PMID 23142346
DOI 10.1016/j.str.2012.09.021