PPIRE12666

Target Protein Information
Protein_Name Troponin C, slow skeletal and cardiac muscles
Protein_Sequence MDDIYKAAVEQLTEEQKNEFKAAFDIFVLGAEDGCISTKELGKVMRMLGQNPTPEELQEMIDEVDEDGSGTVDFDEFLVMMVRCMKDDSKGKSEEELSDLFRMFDKNADGYIDLDELKIMLQATGETITEDDIEELMKDGDKNNDGRIDYDEFLEFMKGVE
Organism_Source Homo sapiens
Functional_Classification EF-hand proteins
Cellular_Localization Cytoplasm
Gene_Names TNNC1
UniProt_ID P63316
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name cTnI147-163
Peptide_Sequence RISADAMMQALLGARAK
Peptide_Length 17
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)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)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1803.17
Aliphatic_Index 98.23529
Aromaticity 0.00000
Average_Rotatable_Bonds 3.70588
Charge_at_pH_7 1.99813
Isoelectric_Point 11.47970
Number_of_Hydrogen_Bond_Acceptors 26
Number_of_Hydrogen_Bond_Donors 28
Topological_Polar_Surface_Area 779.36000
X_logP_energy -8.08146
Interaction Information
Affinity KD=154 uM
Affinity_Assay 1H NMR spectroscopy
PDB_ID 1MXL
Type Allosteric modulator
Structure
Reference Information
Document_Type Research Articles
Title Binding of cardiac troponin-I147-163 induces a structural opening in human cardiac troponin-C.
Release_Year 1999
PMID 10387074
DOI 10.1021/bi9901679