PPIRE12625

Target Protein Information
Protein_Name Mitogen-activated protein kinase 1
Protein_Sequence MAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
Organism_Source Homo sapiens
Functional_Classification kinases
Cellular_Localization Cytoplasm
Gene_Names MAPK1
UniProt_ID P28482
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name KIMMKP3
Peptide_Sequence GIMLRRLQKGNLPVRAL
Peptide_Length 17
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1935.41
Aliphatic_Index 137.64706
Aromaticity 0.00000
Average_Rotatable_Bonds 3.94118
Charge_at_pH_7 3.99768
Isoelectric_Point 12.80743
Hydrogen_Bond_Acceptors 25
Hydrogen_Bond_Donors 29
Topological_Polar_Surface_Area 818.03000
X_logP_energy -6.35669
Interaction Information
Affinity KD=44 uM
Affinity_Assay not reported
PDB_ID 2FYS
Type Allosteric modulator
Structure
Reference Information
Document_Type Research Articles
Title Structural basis of docking interactions between ERK2 and MAP kinase phosphatase 3.
Release_Year 2006
PMID 16567630
DOI 10.1073/pnas.0510506103