dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp01394

General Description

Peptide name : Aurein-4.1

Source/Organism : Green and golden bell frog

Linear/Cyclic : Not found

Chirality : Not found

Sequence Information

Sequence : GLIQTIKEKLKELAGGLVTGIQS

Peptide length: 23

C-terminal modification: Not found

N-terminal modification : Not found

Non-natural peptide information: None

Activity Information

Assay type : Not specified

Assay time : Not found

Activity : LC50 : 10⁻⁵ - 10⁻⁴ M

Cell line : Not specified

Cancer type : Not specified

Other activity : Not found

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 2396.821 Dalton

Aliphatic index : 1.356

Instability index : 11.887

Hydrophobicity (GRAVY) : 0.2261

Isoelectric point : 8.4979

Charge (pH 7) : 0.7627

Aromaticity : 0

Molar extinction coefficient (cysteine, cystine): (0, 0)

Hydrophobic/hydrophilic ratio : 1.3

hydrophobic moment : -1.570

Missing amino acid : C,R,W,H,P,M,F,D,Y,N

Most occurring amino acid : G

Most occurring amino acid frequency : 4

Least occurring amino acid : A

Least occurring amino acid frequency : 1

Structural Information

3D structure :

Secondary structure fraction (Helix, Turn, Sheet): (0.4, 0.2, 0.4)

SMILES Notation: CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CN)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)O

Secondary Structure :

Method Prediction
GOR HHHHHHHHHHHHHHTEEEEEEEE
Chou-Fasman (CF) EEEEHHHHHHHHCCEEEEEECCC
Neural Network (NN) CCHHHHHHHHHHHHCCCCECCCC
Joint/Consensus CCHHHHHHHHHHHHCEEEEECCC

Molecular Descriptors and ADMET Properties

Molecular Descriptors: Click here to download

ADMET Properties: Click here to download

Cross Referencing databases

Pubmed Id : 10951191

Uniprot : Not available

PDB : Not available

CancerPPD : Not available

ApIAPDB : Not available

CancerPPD2 ID : Not available

Reference

1 : Rozek T, et al. The antibiotic and anticancer active aurein peptides from the Australian Bell Frogs Litoria aurea and Litoria raniformis the solution structure of aurein 1.2. Eur J Biochem. 2000; 267:5330-41. doi: 10.1046/j.1432-1327.2000.01536.x

Literature

Paper title : The antibiotic and anticancer active aurein peptides from the Australian Bell Frogs Litoria aurea and Litoria raniformis the solution structure of aurein 1.2.

Doi : https://doi.org/10.1046/j.1432-1327.2000.01536.x

Abstract : Seventeen aurein peptides are present in the secretion from the granular dorsal glands of the Green and Golden Bell Frog Litoria aurea, and 16 from the corresponding secretion of the related Southern Bell Frog L. raniformis. Ten of these peptides are common to both species. Thirteen of the aurein peptides show wide-spectrum antibiotic and anticancer activity. These peptides are named in three groups (aureins 1-3) according to their sequences. Amongst the more active peptides are aurein 1.2 (GLFDIIKKIAESF-NH2), aurein 2.2 (GLFDIVKKVVGALGSL-NH2) and aurein 3.1 (GLFDIVKKIAGHIAGSI-NH2). Both L. aurea and L. raniformis have endoproteases that deactivate the major membrane-active aurein peptides by removing residues from both the N- and C-termini of the peptides. The most abundant degradation products have two residues missing from the N-terminal end of the peptide. The solution structure of the basic peptide, aurein 1.2, has been determined by NMR spectroscopy to be an amphipathic alpha-helix with well-defined hydrophilic and hydrophobic regions. Certain of the aurein peptides (e.g. aureins 1.2 and 3.1) show anticancer activity in the NCI test regime, with LC50 values in the 10-5-10-4 M range. The aurein 1 peptides have only 13 amino-acid residues: these are the smallest antibiotic and anticancer active peptides yet reported from an anuran. The longer aurein 4 and 5 peptides, e.g. aurein 4.1 (GLIQTIKEKLKELAGGLVTGIQS-OH) and aurein 5. 1 (GLLDIVTGLLGNLIVDVLKPKTPAS-OH) show neither antibacterial nor anticancer activity.