dbacp04154
General Description
Peptide name : LL-37 parent
Source/Organism : Neutrophils, monocytes; mast cells; lymphocytes, Mesenchymal Stem Cells; islets; skin, sweat; airway surface liquid, saliva; colonic mucosa; bone marrow and testis, Human
Linear/Cyclic : Not found
Chirality : Not found
Sequence Information
Sequence : LLGDFFRKSKEKIGKEFKRIVQRIKDFLRNLVPRTES
Peptide length: 37
C-terminal modification: Not found
N-terminal modification : Not found
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-bacterial activity
Physicochemical Properties
Amino acid composition bar chart :
Molecular mass : 4493.2629 Dalton
Aliphatic index : 0.894
Instability index : 23.3432
Hydrophobicity (GRAVY) : -0.724
Isoelectric point : 10.605
Charge (pH 7) : 5.7647
Aromaticity : 0.108
Molar extinction coefficient (cysteine, cystine): (0, 0)
Hydrophobic/hydrophilic ratio : 0.76190476
hydrophobic moment : -1.176
Missing amino acid : C,W,H,M,Y,A
Most occurring amino acid : K
Most occurring amino acid frequency : 6
Least occurring amino acid : Q
Least occurring amino acid frequency : 1
Structural Information
3D structure :
Secondary structure fraction (Helix, Turn, Sheet): (0.3, 0.2, 0.3)
SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | HHHHHHHHHHHHHHHHHHHHHHHHHHHHTTTCCCCTT |
| Chou-Fasman (CF) | CCCHHHHHHHHHHHHHEEEEEHHHHHHHEEEECCCCC |
| Neural Network (NN) | CCCCHHHHCCCCCCCCHHHHHHHHHCCCCCCCCCCCC |
| Joint/Consensus | CCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCC |
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 : Gudmundsson GH, et al. The human gene FALL39 and processing of the cathelin precursor to the antibacterial peptide LL-37 in granulocytes. Eur J Biochem. 1996; 238:325-32. doi: 10.1111/j.1432-1033.1996.0325z.x
Literature
Paper title : The human gene FALL39 and processing of the cathelin precursor to the antibacterial peptide LL-37 in granulocytes.
Doi : https://doi.org/10.1111/j.1432-1033.1996.0325z.x
Abstract : The peptide FA-LL-37, previously termed FALL-39, was originally predicted from on ORF of a cDNA clone isolated from a human bone marrow library. This peptide was synthesized and found to have antibacterial activity. We have now characterized and sequenced the complete gene for FA-LL-37, termed FALL39. It is a compact gene of 1963 bp with four exons. Exons 1-3 code for a signal sequence and the cathelin region. Exon 4 contains the information for the mature antibacterial peptide. Our results indicate that FALL39 is the only member of the cathelin gene family present in the human genome. Potential binding sites for acute-phase-response factors are identified in the promoter and in intron 2. A possible role for the cytokine interleukin-6 in the regulation of FALL 39 is discussed. Anti-(FA-LL-37) IgG located the peptide in granulocytes and we isolated the mature peptide from these cells after degranulation. Structural analysis determined the mature peptide to be LL-37. To obtain LL-37 for antibacterial assays, synthetic FA-LL-37 was degraded with dipeptidyl-peptidase I. This analysis showed that mature LL-37 is a potent antibacterial peptide.