PPIRE12429

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 pepHePTP
Peptide_Sequence RLQERRGSNVALMLDV
Peptide_Length 16
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1857.16
Aliphatic_Index 115.62500
Aromaticity 0.00000
Average_Rotatable_Bonds 4.06250
Charge_at_pH_7 1.00020
Isoelectric_Point 10.30864
Number_of_Hydrogen_Bond_Acceptors 26
Number_of_Hydrogen_Bond_Donors 31
Topological_Polar_Surface_Area 866.53000
X_logP_energy -9.21249
Interaction Information
Affinity KD=5 mM
Affinity_Assay not reported
PDB_ID None
Type Allosteric modulator
Structure
Reference Information
Document_Type Research Articles
Title Docking interactions induce exposure of activation loop in the MAP kinase ERK2.
Release_Year 2006
PMID 16765894
DOI 10.1016/j.str.2006.04.006