dbacp01171
General Description
Peptide name : Antimicrobial peptide TsAP-5
Source/Organism : Brazilian scorpion
Linear/Cyclic : Not found
Chirality : Not found
Sequence Information
Sequence : MQIKHLITIFFLVLIVADHCHAFLGMIPGLIGGLISAFKGRRKREITSQIEQYRNLQKREAELENLLANLPVY
Peptide length: 73
C-terminal modification: Not found
N-terminal modification : Free
Non-natural peptide information: None
Activity Information
Assay type : Not specified
Assay time : Not found
Activity : IC50 : 13.3 μM
Cell line : PC3
Cancer type : Prostate cancer
Other activity : Anti-microbial activity
Physicochemical Properties
Amino acid composition bar chart :
Molecular mass : 8390.8932 Dalton
Aliphatic index : 1.256
Instability index : 45.6438
Hydrophobicity (GRAVY) : 0.2384
Isoelectric point : 9.4264
Charge (pH 7) : 2.7611
Aromaticity : 0.082
Molar extinction coefficient (cysteine, cystine): (2980, 2980)
Hydrophobic/hydrophilic ratio : 1.35483871
hydrophobic moment : -0.278
Missing amino acid : W
Most occurring amino acid : L
Most occurring amino acid frequency : 11
Least occurring amino acid : D
Least occurring amino acid frequency : 1
Structural Information
3D structure :
Secondary structure fraction (Helix, Turn, Sheet): (0.3, 0.1, 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](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C)[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)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | HHHHHHHHHEEEEEHHHHHHHHHTTCCCCCCCCEEHHHHHHHHHHEEHHHHHHHHHHHHHHHHHHHHTTCCEE |
| Chou-Fasman (CF) | HHHHEEEEEEEEEEEHHHHHHHHEEEEEEEEEEEECCCCCCCCEEEECCCCCCHHHHHHHHHHHHHHHEECCC |
| Neural Network (NN) | HHHHHHHHHHHEEHHHHHHHHHCCCCCCCCCCCCEEHCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCCC |
| Joint/Consensus | HHHHHHHHHEEEEEHHHHHHHHHCCCCCCCCCCEECCCCCCCCCCEECHHHHHHHHHHHHHHHHHHHHCCCCC |
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 : Almaaytah A and Albalas Q. Scorpion venom peptides with no disulfide bridges: a review. Peptides. 2014; 51:35-45. doi: 10.1016/j.peptides.2013.10.021
Literature
Paper title : Scorpion venom peptides with no disulfide bridges: a review.
Doi : https://doi.org/10.1016/j.peptides.2013.10.021
Abstract : Scorpion venoms are rich sources of biologically active peptides that are classified into disulfide-bridged peptides (DBPs) and non-disulfide-bridged peptides (NDBPs). DBPs are the main scorpion venom components responsible for the neurotoxic effects observed during scorpion envenomation as they usually target membrane bound ion channels of excitable and non-excitable cells. Several hundred DBPs have been identified and functionally characterized in the past two decades. The NDBPs represent a novel group of molecules that have gained great interest only recently due to their high diversity both in their primary structures and bioactivities. This review provides an overview of scorpion NDBPs focusing on their therapeutic applications, modes of discovery, mechanisms of NDBPs genetic diversity and structural properties. It also provides a simple classification for NDBPs that could be adopted and applied to other NDBPs identified in future studies.