PPIRE06114

Target Protein Information
Protein_Name Alpha-bungarotoxin isoform V31
Protein_Sequence MKTLLLTLVVVTIVCLDLGYTIVCHTTATSPISAVTCPPGENLCYRKMWCDVFCSSRGKVVELGCAATCPSKKPYEEVTCCSTDKCNPHPKQRPG
Organism_Source Bungarus multicinctus
Functional_Classification neurotoxins
Cellular_Localization Extracellular
Gene_Names None
UniProt_ID P60616
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name p6.7
Peptide_Sequence HRYYESSLEPWYPD
Peptide_Length 14
Peptide_SMILES CC(C)C[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](Cc1c[nH]c2ccccc12)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 1841.95
Aliphatic_Index 27.85714
Aromaticity 0.28571
Average_Rotatable_Bonds 3.64286
Charge_at_pH_7 -1.90966
Isoelectric_Point 4.42146
Number_of_Hydrogen_Bond_Acceptors 25
Number_of_Hydrogen_Bond_Donors 26
Topological_Polar_Surface_Area 743.46000
X_logP_energy -4.25393
Interaction Information
Affinity IC50=16 nM
Affinity_Assay radioimmunoassay
PDB_ID 1JBD
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title A branched peptide mimotope of the nicotinic receptor binding site is a potent synthetic antidote against the snake neurotoxin alpha-bungarotoxin.
Release_Year 2002
PMID 12162733
DOI 10.1021/bi0256025