PPIRE09555

Target Protein Information
Protein_Name Mitogen-activated protein kinase 10
Protein_Sequence MSLHFLYYCSEPTLDVKIAFCQGFDKQVDVSYIAKHYNMSKSKVDNQFYSVEVGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAVLDRNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDIWSVGCIMGEMVRHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRNYVENRPKYAGLTFPKLFPDSLFPADSEHNKLKASQARDLLSKMLVIDPAKRISVDDALQHPYINVWYDPAEVEAPPPQIYDKQLDEREHTIEEWKELIYKEVMNSEEKTKNGVVKGQPSPSGAAVNSSESLPPSSSVNDISSMSTDQTLASDTDSSLEASAGPLGCCR
Organism_Source Homo sapiens
Functional_Classification kinases
Cellular_Localization Cytoplasm
Gene_Names MAPK10
UniProt_ID P53779
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name decamer JIP1
Peptide_Sequence PKRPTTLNLF
Peptide_Length 10
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]1CCCN1)[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 1186.42
Aliphatic_Index 78.00000
Aromaticity 0.10000
Average_Rotatable_Bonds 3.60000
Charge_at_pH_7 1.99769
Isoelectric_Point 11.65178
Number_of_Hydrogen_Bond_Acceptors 16
Number_of_Hydrogen_Bond_Donors 17
Topological_Polar_Surface_Area 473.91000
X_logP_energy -3.94343
Interaction Information
Affinity KD=23.6 uM
Affinity_Assay Surface plasmon resonance
PDB_ID 4H39
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title De Novo Design and Synthesis of a Gamma-Turn Peptidomimetic Scaffold and Its Application as JNK3 Allosteric Ligand.
Release_Year 2014
PMID 25712695
DOI 10.1002/asia.201403417