dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp04596

General Description

Peptide name : Mauriporin (Non-disulfide-bridged peptide 2.8) (NDBP-2.8)

Source/Organism : Fat-tailed scorpion

Linear/Cyclic : Not found

Chirality : Not found

Sequence Information

Sequence : MNKKTLLVIFFITMLIVDEVNSFKIGGFIKKLWRSKLAKKLRAKGRELLKDYANRVINGGPEEEAAVPAERRR

Peptide length: 73

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 : IC50 : 7.7 μM

Cell line : PC3

Cancer type : Prostate cancer

Other activity : Anti-microbial activity

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 8416.9558 Dalton

Aliphatic index : 1.028

Instability index : 48.4342

Hydrophobicity (GRAVY) : -0.256

Isoelectric point : 10.393

Charge (pH 7) : 8.5084

Aromaticity : 0.082

Molar extinction coefficient (cysteine, cystine): (6990, 6990)

Hydrophobic/hydrophilic ratio : 1.14705882

hydrophobic moment : 0.0096

Missing amino acid : C,H,Q

Most occurring amino acid : K

Most occurring amino acid frequency : 10

Least occurring amino acid : W

Least occurring amino acid frequency : 1

Structural Information

3D structure :

Secondary structure fraction (Helix, Turn, Sheet): (0.4, 0.2, 0.3)

SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC

Secondary Structure :

Method Prediction
GOR HHTTHHHHEEEEEEEHHHHHHHHHHHCHHHHHHHHHHHHHHHHTHHHHHHHHTEEEETTCCHHHHHHHHHHHH
Chou-Fasman (CF) CCCCEEEEEEEEEEECCCCCCEEEEEEHHHHCCHHHHHHHHHHHHHHHHHCCCEEECCCHHHHHHHHHHHCCC
Neural Network (NN) HHCCHHHEEEEEEEEEEHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHH
Joint/Consensus CCCCCCCEEEEEEEECCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCEEECCCCCHHHHHHHHHHHH

Molecular Descriptors and ADMET Properties

Molecular Descriptors: Click here to download

ADMET Properties: Click here to download

Cross Referencing databases

Pubmed Id : 24184590

Uniprot : Not available

PDB : Not available

CancerPPD : Not available

ApIAPDB : Click Here

CancerPPD2 ID : Not available

Reference

1 : Almaaytah A and Albalas Q. Scorpion venom peptides with no disulfide bridges: a review. Peptides. 2014; 51:35-45. doi: 10.1016/j.peptides.2013.10.021

Literature

Paper title : Scorpion venom peptides with no disulfide bridges: a review.

Doi : https://doi.org/10.1016/j.peptides.2013.10.021

Abstract : Scorpion venoms are rich sources of biologically active peptides that are classified into disulfide-bridged peptides (DBPs) and non-disulfide-bridged peptides (NDBPs). DBPs are the main scorpion venom components responsible for the neurotoxic effects observed during scorpion envenomation as they usually target membrane bound ion channels of excitable and non-excitable cells. Several hundred DBPs have been identified and functionally characterized in the past two decades. The NDBPs represent a novel group of molecules that have gained great interest only recently due to their high diversity both in their primary structures and bioactivities. This review provides an overview of scorpion NDBPs focusing on their therapeutic applications, modes of discovery, mechanisms of NDBPs genetic diversity and structural properties. It also provides a simple classification for NDBPs that could be adopted and applied to other NDBPs identified in future studies.