dbacp06366
General Description
Peptide name : TsAP-2
Source/Organism : Venom, the Brazilian yellow scorpion, South America
Linear/Cyclic : Linear
Chirality : L
Sequence Information
Sequence : FLGMIPGLIGGLISAFK
Peptide length: 17
C-terminal modification: Linear
N-terminal modification : Amidation
Non-natural peptide information: None
Activity Information
Assay type : MTT/MTS assay
Assay time : 24h
Activity : IC50 : 4.1 µM
Cell line : NCI-H157
Cancer type : Human squamous carcinoma
Other activity : Hemolytic activity
Physicochemical Properties
Amino acid composition bar chart :
Molecular mass : 1734.1524 Dalton
Aliphatic index : 1.435
Instability index : 6.1353
Hydrophobicity (GRAVY) : 1.5471
Isoelectric point : 8.7501
Charge (pH 7) : 0.7591
Aromaticity : 0.117
Molar extinction coefficient (cysteine, cystine): (0, 0)
Hydrophobic/hydrophilic ratio : 7.5
hydrophobic moment : 1.2588
Missing amino acid : C,R,W,H,Q,T,E,D,Y,N,V
Most occurring amino acid : G
Most occurring amino acid frequency : 4
Least occurring amino acid : M
Least occurring amino acid frequency : 1
Structural Information
3D structure :
Secondary structure fraction (Helix, Turn, Sheet): (0.3, 0.3, 0.4)
SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](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)[C@@H](C)CC
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | EEECCCCCCCCEEEHHH |
| Chou-Fasman (CF) | CEEEEEEEEEEEECCCC |
| Neural Network (NN) | CCCCCCCCCCCCEECCC |
| Joint/Consensus | CEECCCCCCCCEEECCC |
Molecular Descriptors and ADMET Properties
Molecular Descriptors: Click here to download
ADMET Properties: Click here to download
Cross Referencing databases
Pubmed Id :
Uniprot : Not available
PDB : Not available