PPIRE16751

Target Protein Information
Protein_Name Troponin I cardiac muscle
Protein_Sequence MADGSSDAAREPRPAPAPIRRRSSNYRAYATEPHAKKKSKISASRKLQLKTLLLQIAKQELEREAEERRGEKGRALSTRCQPLELAGLGFAELQDLCRQLHARVDKVDEERYDIEAKVTKNITEIADLTQKIFDLRGKFKRPTLRRVRISADAMMQALLGARAKESLDLRAHLKQVKKEDTEKENREVGDWRKNIDALSGMEGRKKKFES
Organism_Source Homo sapiens
Functional_Classification muscle contraction regulatory proteins
Cellular_Localization Cytoplasm
Gene_Names TNNI3
UniProt_ID P19429
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name P4
Peptide_Sequence QIAQHVQEHMIQ
Peptide_Length 12
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCC(N)=O)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 1461.66
Aliphatic_Index 97.50000
Aromaticity 0.00000
Average_Rotatable_Bonds 4.16667
Charge_at_pH_7 -0.81842
Isoelectric_Point 6.49775
Number_of_Hydrogen_Bond_Acceptors 21
Number_of_Hydrogen_Bond_Donors 20
Topological_Polar_Surface_Area 650.44000
X_logP_energy -5.88930
Interaction Information
Affinity KD=1.03 nM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Advancing Peptide-Based Biorecognition Elements for Biosensors Using In-silico Evolution
Release_Year 2018
PMID 29741092
DOI 10.1021/acssensors.8b00159