PPIRE18358

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 Mouse_R1_187-200
Peptide_Sequence WVFYSCCPTTPYLD
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](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](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)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 1694.94
Aliphatic_Index 48.57143
Aromaticity 0.28571
Average_Rotatable_Bonds 3.07143
Charge_at_pH_7 -1.12722
Isoelectric_Point 3.74995
Number_of_Hydrogen_Bond_Acceptors 23
Number_of_Hydrogen_Bond_Donors 22
Topological_Polar_Surface_Area 578.28000
X_logP_energy -2.63330
Interaction Information
Affinity KD=1.23 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