PPIRE18339

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 p6
Peptide_Sequence HRYYESSTEPYYPD
Peptide_Length 14
Peptide_SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=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 1806.86
Aliphatic_Index 0.00000
Aromaticity 0.28571
Average_Rotatable_Bonds 3.57143
Charge_at_pH_7 -1.91051
Isoelectric_Point 4.42146
Number_of_Hydrogen_Bond_Acceptors 27
Number_of_Hydrogen_Bond_Donors 27
Topological_Polar_Surface_Area 768.13000
X_logP_energy -6.69493
Interaction Information
Affinity KD=236.97 nM
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