dbacp06519
General Description
Peptide name : Viscotoxin A1
Source/Organism : Seeds, European mistletoe
Linear/Cyclic : Not found
Chirality : L
Sequence Information
Sequence : KSCCPNTTGRNIYNTCRLTGSSRETCAKLSGCKIISASTCPSNYPK
Peptide length: 46
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 : Colorectal cancer
Other activity : Not found
Physicochemical Properties
Amino acid composition bar chart :
Molecular mass : 4916.5976 Dalton
Aliphatic index : 0.467
Instability index : 41.6478
Hydrophobicity (GRAVY) : -0.55
Isoelectric point : 9.3029
Charge (pH 7) : 5.6975
Aromaticity : 0.043
Molar extinction coefficient (cysteine, cystine): (2980, 3355)
Hydrophobic/hydrophilic ratio : 0.70370370
hydrophobic moment : 0.4037
Missing amino acid : W,H,Q,M,F,D,V
Most occurring amino acid : S
Most occurring amino acid frequency : 7
Least occurring amino acid : E
Least occurring amino acid frequency : 1
Structural Information
3D structure :
Secondary structure fraction (Helix, Turn, Sheet): (0.2, 0.3, 0.2)
SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)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](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | TTTCTTTCCCEEEEEEEETTTCTHHHHTTTTCEEEEEECCCTTCCT |
| Chou-Fasman (CF) | CCCCCEECEEEEEEEEEEECCCHHHHHCCCEEEEEEECCCCCCCCC |
| Neural Network (NN) | CCCCCCCCCCEEEEEEECCCCCCCHHHCCCCCEEEECCCCCCCCCC |
| Joint/Consensus | CCCCCCCCCCEEEEEEEECCCCCHHHHCCCCCEEEEECCCCCCCCC |
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 : Orrù S, et al. Amino acid sequence, S-S bridge arrangement and distribution in plant tissues of thionins from Viscum album. Biol Chem. 1997; 378:989-96. doi: 10.1515/bchm.1997.378.9.989
Literature
Paper title : Amino acid sequence, S-S bridge arrangement and distribution in plant tissues of thionins from Viscum album.
Doi : https://doi.org/10.1515/bchm.1997.378.9.989
Abstract : The complete primary structure of a cytotoxic 5 kDa polypeptide, viscotoxin A1, isolated from Viscum album L., has been determined by combining classical Edman degradation methodology with advanced mass spectrometric procedures. The same integrated approach allowed correction of the sequence of viscotoxin A2 and definition of the pattern of the disulfide bridges. The arrangement of the cysteine pairing was determined as Cys3-Cys40, Cys4-Cys32 and Cys16-Cys26. The primary structure of viscotoxin A1 shares a high degree of similarity with the known viscotoxins and more generally with the plant alpha- and beta-thionins. The pattern of S-S bridges determined for viscotoxin A2 and A1 is similar to that inferred by X-ray and NMR analysis in crambin and related to that present in alpha-purothionin and beta-hordothionin, thus indicating a highly conserved organization of the S-S pairings within the entire family. This arrangement of S-S bridges describes a peculiar structural motif, indicated as 'concentric motif', which is suggested to stabilize a common structure occurring in various small proteins able to interact with cell membranes. The distribution of the new variant toxin in different mistletoe subspecies was investigated. Viscotoxin A1 is abundant in the seeds of the three European subspecies of V. album whereas it represents a minor component in the shoots.