PPIRE19370
Target Protein Information
| Protein_Name | Alpha-insect toxin LqhaIT |
|---|---|
| Protein_Sequence | MNHLVMISLALLLLLGVESVRDAYIAKNYNCVYECFRDAYCNELCTKNGASSGYCQWAGKYGNACWCYALPDNVPIRVPGKCHRK |
| Organism_Source | Leiurus hebraeus |
| Functional_Classification | scorpion R toxin |
| Cellular_Localization | Extracellular |
| Gene_Names | None |
| UniProt_ID | P17728 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | DDG(NaCS1700-T1711)GDD |
|---|---|
| Peptide_Sequence | DDGSDIIEKYFVSPTGDD |
| Peptide_Length | 18 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)CC |
| 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 | 1973.03 |
|---|---|
| Aliphatic_Index | 59.44444 |
| Aromaticity | 0.11111 |
| Average_Rotatable_Bonds | 3.50000 |
| Charge_at_pH_7 | -4.99915 |
| Isoelectric_Point | 3.47933 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 30 |
| Number_of_Hydrogen_Bond_Donors | 29 |
| Topological_Polar_Surface_Area | 879.97000 |
| X_logP_energy | -9.91920 |
Interaction Information
| Affinity | KD=1.9 mM |
|---|---|
| Affinity_Assay | Radioligand binding assay |
| PDB_ID | None |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | NMR Analysis of Interaction of LqhRIT Scorpion Toxin with a Peptide Corresponding to the D4/S3-S4 Loop of Insect Para Voltage-Gated Sodium Channel |
| Release_Year | 2008 |
| PMID | 18154318 |
| DOI | 10.1021/bi701323k |