dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp00814

General Description

Peptide name : AAD (or Aa-Pri1)

Source/Organism : Purified from chestnut mushroom

Linear/Cyclic : Linear

Chirality : L

Sequence Information

Sequence : MDSNKDERAYAQWVIIILHNVGSSPFKIANLGLSWGKLYADGNKDKEVYPSDYNGKTVGPDEKIQINSCGRENASSGTEGSFDIVDPNDGNKTIRHFYWECPWGSKRNTWTPSGSNTKWMVEWSGQNLDSGALGTITVDVLRKGN

Peptide length: 145

C-terminal modification: Linear

N-terminal modification : Free

Non-natural peptide information: None

Activity Information

Assay type : MTT/MTS assay

Assay time : 48h

Activity : At 2.5 µM concentration,decrease in cell vibility: 35%

Cell line : HepG-2

Cancer type : Liver cancer

Other activity : Not found

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 16103.5954 Dalton

Aliphatic index : 0.631

Instability index : 29.5952

Hydrophobicity (GRAVY) : -0.742

Isoelectric point : 5.6543

Charge (pH 7) : -2.3291

Aromaticity : 0.103

Molar extinction coefficient (cysteine, cystine): (45950, 46075)

Hydrophobic/hydrophilic ratio : 0.83544303

hydrophobic moment : -0.043

Missing amino acid : None

Most occurring amino acid : G

Most occurring amino acid frequency : 16

Least occurring amino acid : M

Least occurring amino acid frequency : 2

Structural Information

3D structure :

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

SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCSC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C

Secondary Structure :

Method Prediction
GOR HCTTTHHHHHHHHEEEEEECTTCCCEEEEETTCTTTEEHHTTTTTTTECCTTTTTCCCCCCCHEEEETTTCTTTTTTCCTEEEEECCTTTTTEEEEEEETCTTTTTTEEECCTTCCCEEEEEHTTCCCCTTEEEEEEEEEEHTTC
Chou-Fasman (CF) CCCHHHHHHEEEEEEEEEEEECCCCHHHHHEEECCCCCCCCCHHHHEECCCCCCEEECCCCCEEEECCCCCCCCCCCCCCEEEECCCCCCEEEEEECCCCCCCCCCEEEECCCCCCCCCCCCCCCCCCCCCEEEEEEEECCCCCC
Neural Network (NN) CCCCCCCHHHHHHEEEEEECCCCCCCCEHHCCHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEECCCCCCCCCCCCCCCCEECCCCCCCCCEEEEECCCCCCCCCCCCCCCCCCCCEEEECCCCCCCCCCCCCEEEEEHCCCC
Joint/Consensus CCCCCHHHHHHHHEEEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEECCCCCCCCCCCCCCEEEECCCCCCCCEEEEEECCCCCCCCCEEECCCCCCCCEEEECCCCCCCCCEEEEEEEEECCCCC

Molecular Descriptors and ADMET Properties

Molecular Descriptors: Not available.

ADMET Properties: Not available.

Cross Referencing databases

Pubmed Id : 23034893

Uniprot : Not available

PDB : Not available

CancerPPD : Click here

ApIAPDB : Not available

CancerPPD2 ID : Not available

Reference

1 : Chen Y, et al. Purification and characterization of an antitumor protein with deoxyribonuclease activity from edible mushroom Agrocybe aegerita. Mol Nutr Food Res. 2012; 56:1729-38. doi: 10.1002/mnfr.201200316

Literature

Paper title : Purification and characterization of an antitumor protein with deoxyribonuclease activity from edible mushroom Agrocybe aegerita.

Doi : https://doi.org/10.1002/mnfr.201200316

Abstract : SCOPE: Mushrooms are well known for their nutritional and medicinal value. Agrocybe aegerita has been used as a nutritious food around the world and for its herbal medicinal properties in Asia. In recent years, several antitumor proteins have been identified from A. aegerita. The objective of this study was to purify a novel antitumor protein from A. aegerita. METHODS AND RESULTS: A novel antitumor protein A. aegerita deoxyribonuclease (AAD) was purified through a two-step chromatographic procedure and was shown to possess antitumor activity against different cancer cell lines. Cells treated with AAD produced typical apoptotic morphological changes, which include chromatin condensation, the accumulation of sub-G1 cells and caspase-8 cleavage. Biochemical characterization of AAD showed that it was a member of the DNase I family and that it possessed divalent metal ion-dependent endonuclease activity. The optimal temperature for AAD activity was 50°C and its optimal pH was 8.5. The MS-identified peptides of AAD were found to match to Unigene3821, which has 97% homology with Aa-Pri1, in our A. aegerita transcriptome. CONCLUSION: We have identified a novel antitumor protein from A. aegerita. This fuller understanding of A. aegerita would help us to enhance its use in nutritional and medical applications.