PPIRE12153

Target Protein Information
Protein_Name Kappa-6-bungarotoxin
Protein_Sequence MKTLLLSLVVVTIVCLDLGYTRTCHISTSSTPQTCPKGQDICFRKTQCDKFCSIRGAVIEQGCVATCPEFRSNYRSLLCCRTDNCNP
Organism_Source Bungarus multicinctus
Functional_Classification a-neurotoxin
Cellular_Localization Extracellular
Gene_Names None
UniProt_ID Q9W729
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name a18-mer
Peptide_Sequence YRGWKHWVYYTCCPDTPY
Peptide_Length 18
Peptide_SMILES CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification homoserine lactone
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2338.64
Aliphatic_Index 16.11111
Aromaticity 0.33333
Average_Rotatable_Bonds 3.44444
Charge_at_pH_7 0.96169
Isoelectric_Point 8.20895
Number_of_Hydrogen_Bond_Acceptors 31
Number_of_Hydrogen_Bond_Donors 33
Topological_Polar_Surface_Area 847.30000
X_logP_energy -3.36513
Interaction Information
Affinity KD=65 nM
Affinity_Assay equilibrium binding assay
PDB_ID 1IDG
Type Ion channel modulator
Structure
Reference Information
Document_Type Research Articles
Title The solution structure of the complex formed between alpha-bungarotoxin and an 18-mer cognate peptide derived from the alpha 1 subunit of the nicotinic acetylcholine receptor from Torpedo californica.
Release_Year 2001
PMID 11312275
DOI 10.1074/jbc.M102300200