PPIRE12841

Target Protein Information
Protein_Name Troponin C, slow skeletal and cardiac muscles
Protein_Sequence MDDIYKAAVEQLTEEQKNEFKAAFDIFVLGAEDGCISTKELGKVMRMLGQNPTPEELQEMIDEVDEDGSGTVDFDEFLVMMVRCMKDDSKGKSEEELSDLFRMFDKNADGYIDLDELKIMLQATGETITEDDIEELMKDGDKNNDGRIDYDEFLEFMKGVE
Organism_Source Homo sapiens
Functional_Classification calcium-binding proteins
Cellular_Localization Cytoplasm
Gene_Names TNNC1
UniProt_ID P63316
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name SWH
Peptide_Sequence ISADAMMQALLGARAKES
Peptide_Length 18
Peptide_SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)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 1863.18
Aliphatic_Index 92.77778
Aromaticity 0.00000
Average_Rotatable_Bonds 3.61111
Charge_at_pH_7 -0.00009
Isoelectric_Point 6.49432
Number_of_Hydrogen_Bond_Acceptors 28
Number_of_Hydrogen_Bond_Donors 28
Topological_Polar_Surface_Area 804.09000
X_logP_energy -9.00283
Interaction Information
Affinity KD=4.2 uM
Affinity_Assay Fluorescence Polarization
PDB_ID 4Y99
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structure-based rational design of self-inhibitory peptides to disrupt the intermolecular interaction between the troponin subunits C and I in neuropathic pain.
Release_Year 2017
PMID 28525735
DOI 10.1016/j.bioorg.2017.05.004