dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp04628

General Description

Peptide name : MbtH family protein

Source/Organism : Streptomyces lasalocidi

Linear/Cyclic : Linear

Chirality : Not found

Sequence Information

Sequence : MSTNPFDDETGRFHVLVNGEDQHSLWPAFAEVPAGWRSVFGPAARTESLAYVEEHWTDMRPRSLREAADG

Peptide length: 70

C-terminal modification: Linear

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 : Not found

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 7902.5501 Dalton

Aliphatic index : 0.544

Instability index : 53.77

Hydrophobicity (GRAVY) : -0.632

Isoelectric point : 4.7598

Charge (pH 7) : -6.2139

Aromaticity : 0.114

Molar extinction coefficient (cysteine, cystine): (17990, 17990)

Hydrophobic/hydrophilic ratio : 1.05882352

hydrophobic moment : -0.429

Missing amino acid : C,K,I

Most occurring amino acid : A

Most occurring amino acid frequency : 8

Least occurring amino acid : Q

Least occurring amino acid frequency : 1

Structural Information

3D structure :

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

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

Secondary Structure :

Method Prediction
GOR CCCCCCCTTTHHEEEEETTCTTTTCCHHHHHCHTTCEEETCCCHHHHHHHHHHHHHHHHCHHHHHHHHTT
Chou-Fasman (CF) CCCCCCCCCCCEEEEECCHHHHHCHHHHHHHCCCCEEEECCCCCCCCEEHHHHHEECCCCCHHHHHHCCC
Neural Network (NN) CCCCCCCCCCCCEEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCCCCCCCCCC
Joint/Consensus CCCCCCCCCCCCEEEEECCCCCCCCCHHHHHCCCCCEEECCCCCCHHHHHHHHHCCCCCCCHHHHHHCCC

Molecular Descriptors and ADMET Properties

Molecular Descriptors: Click here to download

ADMET Properties: Click here to download

Cross Referencing databases

Pubmed Id : 16799553

Uniprot : Not available

PDB : Not available

CancerPPD : Not available

ApIAPDB : Not available

CancerPPD2 ID : Not available

Reference

1 : Watanabe K, et al. Total biosynthesis of antitumor nonribosomal peptides in Escherichia coli. Nat Chem Biol. 2006; 2:423-8. doi: 10.1038/nchembio803

Literature

Paper title : Total biosynthesis of antitumor nonribosomal peptides in Escherichia coli.

Doi : https://doi.org/10.1038/nchembio803

Abstract : Nonribosomal peptides (NRPs) are a class of microbial secondary metabolites that have a wide variety of medicinally important biological activities, such as antibiotic (vancomycin), immunosuppressive (cyclosporin A), antiviral (luzopeptin A) and antitumor (echinomycin and triostin A) activities. However, many microbes are not amenable to cultivation and require time-consuming empirical optimization of incubation conditions for mass production of desired secondary metabolites for clinical and commercial use. Therefore, a fast, simple system for heterologous production of natural products is much desired. Here we show the first example of the de novo total biosynthesis of biologically active forms of heterologous NRPs in Escherichia coli. Our system can serve not only as an effective and flexible platform for large-scale preparation of natural products from simple carbon and nitrogen sources, but also as a general tool for detailed characterizations and rapid engineering of biosynthetic pathways for microbial syntheses of novel compounds and their analogs.