PPIRE18360

Target Protein Information
Protein_Name Alpha-bungarotoxin isoform V31
Protein_Sequence MKTLLLTLVVVTIVCLDLGYTIVCHTTATSPISAVTCPPGENLCYRKMWCDVFCSSRGKVVELGCAATCPSKKPYEEVTCCSTDKCNPHPKQRPG
Organism_Source Bungarus multicinctus
Functional_Classification three finger toxins
Cellular_Localization Extracellular
Gene_Names None
UniProt_ID P60616
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Human_R1_187-200
Peptide_Sequence SVTYSCCPDTPYLD
Peptide_Length 14
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1563.71
Aliphatic_Index 48.57143
Aromaticity 0.14286
Average_Rotatable_Bonds 3.00000
Charge_at_pH_7 -2.12677
Isoelectric_Point 3.49187
Number_of_Hydrogen_Bond_Acceptors 25
Number_of_Hydrogen_Bond_Donors 23
Topological_Polar_Surface_Area 620.02000
X_logP_energy -7.13300
Interaction Information
Affinity KD=343.64 uM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Mimotopes of the Nicotinic Receptor Binding Site Selected by a Combinatorial Peptide Library
Release_Year 2001
PMID 11380255
DOI 10.1021/bi0023201