dbacp06452
General Description
Peptide name : Vaby A
Source/Organism : African, the Ethiopian highlands
Linear/Cyclic : Not found
Chirality : L
Sequence Information
Sequence : GLPVCGETCAGGTCNTPGCSCSWPICTRN
Peptide length: 29
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 : Fibrosarcoma
Other activity : Not found
Physicochemical Properties
Amino acid composition bar chart :
Molecular mass : 2888.2839 Dalton
Aliphatic index : 0.403
Instability index : 45.4759
Hydrophobicity (GRAVY) : 0.0759
Isoelectric point : 5.9623
Charge (pH 7) : -0.2965
Aromaticity : 0.034
Molar extinction coefficient (cysteine, cystine): (5500, 5875)
Hydrophobic/hydrophilic ratio : 1.9
hydrophobic moment : 0.1834
Missing amino acid : H,Q,M,K,F,D,Y
Most occurring amino acid : C
Most occurring amino acid frequency : 6
Least occurring amino acid : L
Least occurring amino acid frequency : 1
Structural Information
3D structure :
Secondary structure fraction (Helix, Turn, Sheet): (0.1, 0.4, 0.2)
SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CN)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | CCCETCEEETTCCCCCTTCCTTCTEECTT |
| Chou-Fasman (CF) | EEEECCCCCCCCCCCCCCEECEEEEECCC |
| Neural Network (NN) | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Joint/Consensus | CCCCCCCCCCCCCCCCCCCCCCCCEECCC |
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 : Yeshak MY, et al. Cyclotides from an extreme habitat: characterization of cyclic peptides from Viola abyssinica of the Ethiopian highlands. J Nat Prod. 2011; 74:727-31. doi: 10.1021/np100790f
Literature
Paper title : Cyclotides from an extreme habitat: characterization of cyclic peptides from Viola abyssinica of the Ethiopian highlands.
Doi : https://doi.org/10.1021/np100790f
Abstract : As part of ongoing explorations of the structural diversity of cyclotides, the cyclotide content of a native violet of the East African highlands, Viola abyssinica (which grows at altitudes up to 3400 m), was studied. Six new cyclotides, vaby A-E (1-5) and varv E (6), were isolated and characterized by employing HPLC and MS techniques and quantitative amino acid analysis. Cyclotides 1-5 were found to have new sequences, and 1-3 have a further novel feature in their sequences, an alanine moiety in loop 2. Two of the cyclotides (1 and 4) also exhibited cytotoxic properties in a flourometric microculture cytotoxicity assay. The findings corroborate the hypothesis that investigating the cyclotide contents of violets growing in diverse environments is a promising approach for extending our knowledge of both the structural and biological diversity of cyclotides.