dbacp08303
General Description
Peptide name : ATRA1-R3W2 - HYD
Source/Organism : Synthetic
Linear/Cyclic : Linear
Chirality : L
Sequence Information
Sequence : RRWKRFFKRWKGGVIGVTFPF
Peptide length: 21
C-terminal modification: Linear
N-terminal modification : Amidation
Non-natural peptide information:
Activity Information
Assay type : Cytotoxicity assay
Assay time : 6-h
Activity : LD50 ~24.5 μM
Cell line : H-358
Cancer type : Lung Cancer
Other activity : Antimicrobial and Anticancer
Physicochemical Properties
Amino acid composition bar chart :
Molecular mass : 2669.1826 Dalton
Aliphatic index : 0.461
Instability index : 137.252
Hydrophobicity (GRAVY) : -0.519
Isoelectric point : 12
Charge (pH 7) : 6.7571
Aromaticity : 28.57
Molar extinction coefficient (cysteine, cystine): (0, 0)
Hydrophobic/hydrophilic ratio : 1.625
hydrophobic moment : -0.931
Missing amino acid : A,C,D,E,H,L,M,N,Q,S,Y
Most occurring amino acid : R
Most occurring amino acid frequency : 4
Least occurring amino acid : I
Least occurring amino acid frequency : 1
Structural Information
3D structure :
Secondary structure fraction (Helix, Turn, Sheet): (14., 19., 47.)
SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | HHHHHHHHHHTTTCEEEECCC |
| Chou-Fasman (CF) | HHHHHHHHCCEEEEEEEECCC |
| Neural Network (NN) | HHHHHHHCCCCCCEEEEECCC |
| Joint/Consensus | HHHHHHHHCCCCCEEEEECCC |
Molecular Descriptors and ADMET Properties
Molecular Descriptors: Click here to download
ADMET Properties: Click here to download
Cross Referencing databases
Pubmed Id :
Uniprot : Not available
PDB : Not available
CancerPPD : Not available
ApIAPDB : Not available
CancerPPD2 ID: 7714