dbacp01101
General Description
Peptide name : Amino acid adenylation domain-containing protein
Source/Organism : Streptomyces lasalocidi
Linear/Cyclic : Linear
Chirality : Not found
Sequence Information
Sequence : MNTVPALFESVVARRGGEPALIEAEDTLRYAELNTRINRLARLLIAHGVGPDSLVAVAMPKSRELIVSIMAVLKAGGAYLPLDPEYPAERLSFMLSDARPVLLLRSSSVAPLGKLGEGPQEVVCDDPAFRAACARLPEHDVAQHERRAPLRPEHLMYVIYTSGSTGTPKGVAVPHSGVPDMVATQRAVLRAGPGDRVLQWASISFDAAFWDVSLALLSGAALVTVAAEELLPGHPLGNTLVKYGITHAVLPPVALSETDADDVLPGGTVMSTGDSCTPTLVRKWSRTRRMFNGYGPTEVTVGATIAGPVRDTGDIAIGAPWVGKRVHVLDERLRPVPPGKEGELYIAGSGLARGYLNRSPATAGKFVADPFGPPGTRMYRTGDRGRRGPDGQLFFAGRADGQVKVRGFRVELGEIEARLAAHPVVDVAVAVVRGELADAHVVGYVTTTAPVDPGDLRAHVAASLPAHMVPARVTVLERFPTLTNGKIDRGALPRPEADAGVLAHAGAPAAGAEPAAGAREPEADDCAAAVCAIVRDVLRAPEATAADNFFELGGHSVQATRLVSRIRERFGVALPMRTVLEAASIGELAAVVGSRLPA
Peptide length: 598
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 : 62855.2801 Dalton
Aliphatic index : 0.946
Instability index : 34.5273
Hydrophobicity (GRAVY) : 0.0508
Isoelectric point : 6.5577
Charge (pH 7) : -2.2198
Aromaticity : 0.050
Molar extinction coefficient (cysteine, cystine): (38390, 38640)
Hydrophobic/hydrophilic ratio : 1.62280701
hydrophobic moment : 0.0722
Missing amino acid : None
Most occurring amino acid : A
Most occurring amino acid frequency : 88
Least occurring amino acid : W
Least occurring amino acid frequency : 4
Structural Information
3D structure : Not Available
Secondary structure fraction (Helix, Turn, Sheet): (0.3, 0.2, 0.3)
SMILES Notation: 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N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | CCCCCHHHHHHHHHTTCCCHHHHHHHHHHHHHHHHHHHHHHHHEEEECCCCCCEEEHHCHTHHHHHHHHHHHHHTTCCCCTCCCTCCHHHHHHEHHTTCTHEEEETTTECCTTECCCCCCEEEECCTHHHHHHHTCHHHHHHHHHHHCTTCTTTEEEEEEETTCCCCCEEEEEECTCCCEEHHHHHHHEETCCCCEEEEEHHHHHHHHHHHHHHHHHHTHHHEHHHHHHHCTTCCTTCEEEEEEEEEEECCCCEECECCCCTCCTTCEEEEECCTCCCEEEEHTHHHHEEETTCCCCEEEEEEEEECCCCCCCEEEECCCHHTHHEEEHHTTTCCCCTTCTTEEEEETTCEEEEEETTCTCCTTCEEECTTCCCTCEEEEETCTTCTCCTTCEEEHHHHTTHHEEETEHHHHHHHHHHHHHCCEEEEEEEEHHHHHHHHEEEEEEEEECCCCCTCHHHHHHHHCHHHECHHHHHEEEECCTCCTTCEETTCCCCCHHHHHHHHHHCCCHHHCCHHHHHCCTTHHHHHHHHHHHEHHHHHCHHHHHHHHHHHETTCCEEEEEHHHHHHHHHTHCCHHHHHHHHHHHHHHHEEETCCCTT |
| Chou-Fasman (CF) | EEEHHHHEEEECCCCCHHHHHHHHHHCHHHHHEEEEEHHHHCHHHHEECCCEEEECCCCCCCCEEEECCHHHHCCCCCCCCCCCHHHHHCHHHHHHHCEEECCCCEECCCCCCCCCCCCEEECCHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHEEEEEEEEEEECCCCEECCCEECCCCEEHHHHHHHCCCCEEEECCEEEEHHHHHEEEECCCCHHHHEEEHHHHHHCCCCCCEEEEEEEEEEECCEECCCHHHHHHHHEECCEEEEECCCCCEEEECCCCEEEECCCCCCCCEEEEEEECCCCCCCCCCCEECCCEEEEECEEHHHHHCCCCCCCCCCCEEEECCCCCCEEECCCCHHHHCCCCCCCCCCCEEEEECCCCCCCCCCCCHHHHHHHHEEEEEECCHHHHHHHHHHHHHHEEEEEEEEEEHHHHHHHEEEEEEEEEECCCCCHHHHHHHHCCCCCCCCCEEEECCCEEEEECCCCCCCCCCCHHHHHEEHHHHCCCCHHHHHCHHHHHHHHHHHHHHHEEEEEEEHHHHHHHHHHHHHHHCCEEEECCEEEEEHHHHEEECCCCEEEHHHHCCHHHHEEEECCCCCC |
| Neural Network (NN) | CCCCCCHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHCCCCHHEEEHCCCCCCCCCCCCCCCCECCCCCCHHHHHHCCCCCCHHHHCCCCCCCCCCCEEEEEECCCCCCCCCEEECCCCCCCHHHHHHHHHCCCCCCCEEEECCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCEEEECCCCCCCCCCCCCCCCCCCCCCCCCEEECCCCCCCCEEEECCCCCEEECCCCCCEEEEECEECCCCCCCCCCCCCCCCCCCHEEHHCCCCCCCCCCCCCCEEEECCCCCCECCCCCCCCCCCCCCCCCCCCCCEEEEECCCCCCCCCCCEEECCCCCCCHHCCCCHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHEEEEECCCCCCCCCCHHHHHHHCCCCCCCCCHHEEECCCCCCCCCCCCCCCCCCCCCCHHHHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCHHHHHHCCCCCCCEEEEEEEECHCCCHHCCCHHHHHHHHHHHHHHHHCCCCCC |
| Joint/Consensus | CCCCCHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCEECCCCCCCCHHHHHHHHHHHCCCCCCCCCCCCCHHHHHHHHHCCCCCEEECCCCCCCCCCCCCCCCEECCCCCHHHHHHHCCHHHHHHHHHCCCCCCCCCEEEEEEECCCCCCCCEEEECCCCCCCCHHHHHHHHCCCCCCEEEEECCCHHHHHHHHHHHHHHHHHHHCHHHHHHCCCCCCCCCEEEEEEEECCCCCCCCCCCCCCCCCCCCCEEEECCCCCCCEEEECCCCCCEEECCCCCCEEEEEEEECCCCCCCCEECCCCCCCCCCEECCCCCCCCCCCCCCCEEEEECCCCCEEECCCCCCCCCCCCCCCCCCCCCEEEEECCCCCCCCCCCEEEHHHHCCCCEECCCHHHHHHHHHHHHHCCEEEEEEEEHHHHHHHHEEEEEEEEECCCCCCCHHHHHHHCCCCCCCCCCCEEEEECCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCCCCHHHHCCCCHHHHHHHHHHHCHHHHHCHHHHHHHHHHHCCCCCEEEEEEEEHHHHCCCCCCCCHHHHHHHHHHHHHEEECCCCCC |
Molecular Descriptors and ADMET Properties
Molecular Descriptors: Not available.
ADMET Properties: Not available.
Cross Referencing databases
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.