PPIRE13238
Target Protein Information
| Protein_Name | Alpha-bungarotoxin |
|---|---|
| Protein_Sequence | MKTLLLTLVVVTIVCLDLGYTIVCHTTATSPISAVTCPPGENLCYRKMWCDAFCSSRGKVVELGCAATCPSKKPYEEVTCCSTDKCNPHPKQRPG |
| Organism_Source | Bungarus multicinctus |
| Functional_Classification | three-finger toxins |
| Cellular_Localization | Extracellular |
| Gene_Names | None |
| UniProt_ID | P60615 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | pDD |
|---|---|
| Peptide_Sequence | FRYYESSLEPWDD |
| Peptide_Length | 13 |
| 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)Cc1ccccc1)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](CC(=O)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 | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1706.79 |
|---|---|
| Aliphatic_Index | 30.00000 |
| Aromaticity | 0.30769 |
| Average_Rotatable_Bonds | 3.84615 |
| Charge_at_pH_7 | -2.99928 |
| Isoelectric_Point | 3.73792 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 23 |
| Number_of_Hydrogen_Bond_Donors | 25 |
| Topological_Polar_Surface_Area | 711.54000 |
| X_logP_energy | -4.44163 |
Interaction Information
| Affinity | KD=4.9 nM |
|---|---|
| Affinity_Assay | Surface plasmon resonance |
| PDB_ID | 1RGJ |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | NMR and MD studies on the interaction between ligand peptides and alpha-bungarotoxin. |
| Release_Year | 2004 |
| PMID | 15178256 |
| DOI | 10.1016/j.jmb.2004.04.041 |