dbACP: A Comprehensive Database of Anti-Cancer Peptides

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

Pubmed Id : 8681941

Uniprot : Not available

PDB : 2K6O

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.