dbacp06164
General Description
Peptide name : Stigmurin
Source/Organism : Venom gland, Yellow scorpion of the Northeast
Linear/Cyclic : Not found
Chirality : Not found
Sequence Information
Sequence : FFSLIPSLVGGLISAFK
Peptide length: 17
C-terminal modification: Not found
N-terminal modification : Amidation
Non-natural peptide information: None
Activity Information
Assay type : MTT assay
Assay time : 24h
Activity : IC50 : 118 μM
Cell line : SiHa cells
Cancer type : Cervical cancer
Other activity : Anti-bacterial activity; Anti-fungal activity
Physicochemical Properties
Amino acid composition bar chart :
Molecular mass : 1796.1556 Dalton
Aliphatic index : 1.376
Instability index : 12.4706
Hydrophobicity (GRAVY) : 1.5353
Isoelectric point : 8.7501
Charge (pH 7) : 0.7591
Aromaticity : 0.176
Molar extinction coefficient (cysteine, cystine): (0, 0)
Hydrophobic/hydrophilic ratio : 3.25
hydrophobic moment : 1.3557
Missing amino acid : C,R,W,H,Q,T,M,E,D,Y,N
Most occurring amino acid : F
Most occurring amino acid frequency : 3
Least occurring amino acid : P
Least occurring amino acid frequency : 1
Structural Information
3D structure :
Secondary structure fraction (Helix, Turn, Sheet): (0.2, 0.3, 0.5)
SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | EEEECCTEETCEEEHHH |
| Chou-Fasman (CF) | EEEEEEEEEEEEECCCC |
| Neural Network (NN) | CCCCCCCCCCCCEECCC |
| Joint/Consensus | EEEECCCEECCEEECCC |
Molecular Descriptors and ADMET Properties
Molecular Descriptors: Click here to download
ADMET Properties: Click here to download
Cross Referencing databases
CancerPPD : Not available
ApIAPDB : Not available
CancerPPD2 ID : Not available
Reference
1 : de Melo ET, et al. Structural characterization of a novel peptide with antimicrobial activity from the venom gland of the scorpion Tityus stigmurus: Stigmurin. Peptides. 2015; 68:3-10. doi: 10.1016/j.peptides.2015.03.003
Literature
Paper title : Structural characterization of a novel peptide with antimicrobial activity from the venom gland of the scorpion Tityus stigmurus: Stigmurin.
Doi : https://doi.org/10.1016/j.peptides.2015.03.003
Abstract : A new antimicrobial peptide, herein named Stigmurin, was selected based on a transcriptomic analysis of the Brazilian yellow scorpion Tityus stigmurus venom gland, an underexplored source for toxic peptides with possible biotechnological applications. Stigmurin was investigated in silico, by circular dichroism (CD) spectroscopy, and in vitro. The CD spectra suggested that this peptide interacts with membranes, changing its conformation in the presence of an amphipathic environment, with predominance of random coil and beta-sheet structures. Stigmurin exhibited antibacterial and antifungal activity, with minimal inhibitory concentrations ranging from 8.7 to 69.5μM. It was also showed that Stigmurin is toxic against SiHa and Vero E6 cell lines. The results suggest that Stigmurin can be considered a potential anti-infective drug.