dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp02441

General Description

Peptide name : ChaC7

Source/Organism : Beras-beras

Linear/Cyclic : Not found

Chirality : L

Sequence Information

Sequence : IPCGESCVWIPCITAIAGCSCKNKVCYT

Peptide length: 28

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 : Not found

Cell line : Not found

Cancer type : Not found

Other activity : Anti-microbial activity; Cytotoxic activity; Hemolytic activity

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 2963.5606 Dalton

Aliphatic index : 0.835

Instability index : 29.3714

Hydrophobicity (GRAVY) : 0.75

Isoelectric point : 7.769

Charge (pH 7) : 0.7005

Aromaticity : 0.071

Molar extinction coefficient (cysteine, cystine): (6990, 7365)

Hydrophobic/hydrophilic ratio : 2.11111111

hydrophobic moment : -0.002

Missing amino acid : R,H,Q,M,F,D,L

Most occurring amino acid : C

Most occurring amino acid frequency : 6

Least occurring amino acid : E

Least occurring amino acid frequency : 1

Structural Information

3D structure :

Secondary structure fraction (Helix, Turn, Sheet): (0.1, 0.2, 0.3)

SMILES Notation: CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C

Secondary Structure :

Method Prediction
GOR CCTCCTTEECCEEEEHHCCTTTTTTEEE
Chou-Fasman (CF) CCCCEEEEEEEEECCCCCCCCCEEECCC
Neural Network (NN) CCCCCCCCEECCCEEECCCCCCCCCCEE
Joint/Consensus CCCCCCCEEEEEEEECCCCCCCCCCCEE

Molecular Descriptors and ADMET Properties

Molecular Descriptors: Click here to download

ADMET Properties: Click here to download

Cross Referencing databases

Pubmed Id : 22467870

Uniprot : Not available

PDB : Not available

CancerPPD : Not available

ApIAPDB : Not available

CancerPPD2 ID : Not available

Reference

1 : Nguyen GKT, et al. Novel cyclotides and uncyclotides with highly shortened precursors from Chassalia chartacea and effects of methionine oxidation on bioactivities. J Biol Chem. 2012; 287:17598-17607. doi: 10.1074/jbc.M111.338970

Literature

Paper title : Novel cyclotides and uncyclotides with highly shortened precursors from Chassalia chartacea and effects of methionine oxidation on bioactivities.

Doi : https://doi.org/10.1074/jbc.M111.338970

Abstract : Cyclotides are a new class of plant biologics that display a diverse range of bioactivities with therapeutic potentials. They possess an unusual end-to-end cyclic backbone combined with a cystine knot arrangement, making them exceptionally stable to heat, chemical and enzymatic degradation. Currently, >200 cyclotides have been discovered but only three naturally occurring linear variants (also known as uncyclotides) have been isolated. In this study, we report the discovery of 18 novel peptides, chassatides C1 to C18, composed of 14 new cyclotides and four uncyclotides from Chassalia chartacea (Rubiaceae family). Thus far, this is the largest number of uncyclotides being reported in a single species. Activity testing showed that the uncyclotides not only retain the effectiveness but also are the most potent chassatides in the assays for antimicrobial, cytotoxic, and hemolytic activities. Genetic characterization of novel chassatides revealed that they have the shortest precursors of all known cyclotides hitherto isolated, which represents a new class of cyclotide precursors. This is the first report of cyclotide genes in a second genus, the Chassalia, other than the Hedyotis (Oldenlandia) of the Rubiaceae family. In addition, we also report the characterization of two Met-oxidized derivatives of chassatides C2 and C11. The oxidation of Met residue causes loss of bioactivities, strengthening the importance of the hydrophobic patch for membrane interaction.