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
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.