dbacp04282
General Description
Peptide name : Long-chain-fatty-acid-CoA ligase
Source/Organism : NRRL B-24137T strain, Saharan soil, Algeria
Linear/Cyclic : Not found
Chirality : Not found
Sequence Information
Sequence : MVDRPERVTVGLGAEFSDRLRAFARSRGVTTTTVLQTAWGVLLGRLTGRRDVVFGCPVSGRPAEVDGVESMIGQLGNTIPVRVRHTAADTAADLLDRVHAESVALAEHHHVGLPDIQRAAGLGELFDTMLVMENFPLSSRHRVTLAPGLDLVGVDITDATHYPLTVIVLPDEEITLGLGYQPQVLDEATVRGYGRWLRTLLHEIVDDPDRPVARLRALDAREQDDLLRLGAGPRPKRARGDVLAEFGRWVADTPDAEAVVCRDRSLTYAELDRRANRLANALLARGVRPQDPVAVLLGRDVELVVALFAVLKAGAVHVPMDPDYPRDRLAYMAEDIAPAAVIAQSHPGFGDQPLVRPDADAPSDDDPVHARAGLTPDSLAYVIYTSGTTGKPKGVAVPLRGLPSLIALQEDVVGIGGRERYLHFASTSFDVAFWQFMLPLLSGGTSVIAPEEVRVPGDELLDYIAEHRVTGVNLLPSFLAAMPDDRTVPPEVFFVVGAERLDPELARRWGDRRALFNAYGPTEVTINSVTWHYAPDDPGPLPIGRPDPEVRAYVLDGGLLPVGVGVTGELYLAGPKLARGYVNRPGLTAERFVADPFGAPGERMYRTGDLVRWRPDGQLVFLGRADHQVKVRGFRIELAEVETVLSRHPGVRACAVIVREGRLVGYVIPATATTDTAATPGTAAAPDSAAAPDSAAAPDSAATPGTAATTTAVAAGLDLADVRAHLAAELPDHMVPAALVVLDRLPLGPTGKLDRAALPAPEVRAAAAREPATPTEAVLLEVFREVLGRADVQLDDAFLDVGGDSIVSLRLVSRARREGLTLTARDVFEGATVAGIAARCGAAEEPEAAPAVGDAPLTPVMRDLLLRCAAGGASADSFCQWVEVCVPPGSVDTWRRVLDAVLARHDVLRAHLADTGADGPVLRIPEVGAVTAADVLVHVPATGDLRALADRHVAEARARMDLRTGPLLRAVWLDAGERPGRLVLVGHHVVVDAVSWRVLLDDVEHAHAGHPLRRHGQSFLGWARSRRDHRPVLVADVPPPLARTPLDPARDTTATAVHHVVHLDPETTRTLLTTLPAAYRTTPDTVLLTALARAAARWRGGAADLLVALESHGRTDELSQTVGWFTAVHTARVTPAGTASAALKAVKEQLPRAVAATPEVSWNYLGRFPAAPTAEVPWQAPPDADPLGSGGDDLPLPHALMVNALERDDRLGVRFTWPGALFDAEEVAELAEHLRRAATDLAADPDARERAGLTPSDLPLVDLDQAAIERLEGDRAVADVLPLTPLQEVVLRHAEVYPVQAAFTVAGALDVPALHAAGADLLRRHPNLGAVFPPDLPVQVVPVDPRPDCRLAEVADVEQALADDLAEPFDPATGPLVRLSVLRHGAEQVVVLTTHHVLSDGWSAPRILTELFALYAARVAGVAPDLPAPVPFARYLRWRAGRDHDADVRAWREEVAGLPEGDYLTRGRPTPVGPVDPVLFAVGPDVVAGLTRAAARRGLTPNTLLQGAWATVLAARSGRAEVCFGAMVSGRQADVEGVEDILGLLAGTVPVRVRLTGVLGDALADLQARQQNQAVHVGLSEIEGDRVRLFDSLVVFENYPVDPERLREPAPGLTVTAARFRERTHHPVTLTVVPEGGGWTGVLGCLRGVFTAAEERALADDLLAALRDLPAGLDADAGDFLAGRS
Peptide length: 1685
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 : Not found
Physicochemical Properties
Amino acid composition bar chart :
Molecular mass : 179762.174 Dalton
Aliphatic index : 1.000
Instability index : 35.9858
Hydrophobicity (GRAVY) : 0.007
Isoelectric point : 5.2683
Charge (pH 7) : -54.2212
Aromaticity : 0.051
Molar extinction coefficient (cysteine, cystine): (156760, 157385)
Hydrophobic/hydrophilic ratio : 1.56079027
hydrophobic moment : 0.0337
Missing amino acid : None
Most occurring amino acid : A
Most occurring amino acid frequency : 248
Least occurring amino acid : K
Least occurring amino acid frequency : 9
Structural Information
3D structure : Not Available
Secondary structure fraction (Helix, Turn, Sheet): (0.3, 0.2, 0.3)
SMILES Notation: 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C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)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](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](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](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)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](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=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](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)[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)CC)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(C)C)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@@H](C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)[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)O)C(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)[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@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[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@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)[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(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(C)C)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@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(C)C)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(C)C)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@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)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(C)C)[C@@H](C)CC)C(C)C)C(C)C)C(C)C)C(C)C)[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(C)C)C(C)C)C(C)C)[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(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | EECCTTTEEEECCHHHHHHHHHHHHTTTEEEEEEEEEEEEEEEEEETTCEEEEEECCCTCCCCEETHHEEEEEECCCCCEEEEEEEHHHHHHHHHHHHHHHHHHHHHHHETCCCHHHHHTTTCHHHHHHHHHHCCHTTTTEEEEECTTCEEEEEEEEETCCCCEEEEECCCTHEEEEECCCCCEEHHHEEETTTEEEHHHEEEEECCCCCCHHHHHHHHHHHHHHHHEETTCCCCTTTTTTHHHHHHHEETCCCCHHHHEEHTTTTCCHHHHHHHHHHHHHHHHEECCCCCCCEEEETCHHHHHHHHHHHHHHTHEECCCCCCCCTHHHHHHHHHHCHHHHHHECCCCCCCCCCECCCCCCCCTCCCHEEETTCCCTTEEEEEEEECCCCCCCCEEEEETCCCCEEHHHEEEEEETTHHEEEEETTCCHHHHHHHHHCTETTTCCEEECCHHEECTTCHHHHHHHHHEEETCCCCCHHHHCCCCCTTCCCCEEEEEHHHTHCHHHHHHTTHHHHHETTTCCCEEEEEEEEEECCTCCCCCCCCCCCCCTHHEEEETTTEEEEEEEEEEEEEETCCCHEEEEECCTTCCHHHEECCCTCCCTHHEEETTCCEEECTTTCEEEEHHHHHHHHHHTHHHHHHHHHHEEETCTTCEEEEEEHHTTEEEEEEEEECECCCCECCCCCCCCCCHHCCCCHHCCCCTTCCCCCEEEEEEHHHHHHHHHHHHHHHHHCHHHHCHHHHHEEETCTTCCCCCEHHHTCCCHHHHHHHHHCTTCCCHHHHHHHHHHHHHHHHHHHHHHEEEETCCCEEEEEEHHHHHHTTEEHHHHHHHHTHHEHHHHHHHTHHHCHHHCHHCCCCCCCCCEEHHHHHHHTTCCCCHHHEEEEEEECCTTCCEEEEEHHHHHHHHHHHHHHHEECCCCCCCEEECEEEEHHHHHHEEEECCCCCHHHHHHHHHHHHHHHHHHHTTCCCEEEEEEHTTCCTTEEEEEEEEEEEEHHHHHEHHHHHHHHHTTCHHHETTTEEEHHHHHTTTTCTEEEECCCCCCCCCCCCCTTHHHHHEEEEEEECCTTTEEEEEEECCTEEECCCCCEEEHHHHHHHHHHHTTCHHHHHHHHTTTCCHTTTEEEEEEEEEEHEEECCCCCHHHHHHHHHHHCHHHHECCCTEETTTTTCCCCCCCCCCCCCCCCCCCCTTCCCCCCCCCHHHHHHHHHHHHTTTEEEECTTCHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHTTCCCCCCCEEHHHHHHHHHHHHHHHHEECCCCCCHHHEEHHHHHHCHHHHHHEEEHCHHCHHHHHHHHHHHHTCTTTTCECCCCCCEEECCCCCCCTHHHHHHHHHHHHHHHHHHCTCCCTCCCEEEEEEEEHTHHHEEEEEEEEEEETTCCCTTHHHHHHHHHHHHEECCCCCCCCCCCHHHHHHHHTTTCHHHHHHHHHHHHTTCCTTCEEEETCCCCCCCCCCEEEEECCCEEEEHHHHHHHTTCCCCCEEEEHHHHHHHHHTTTHHHEEEHHHHCCCHHHTTHHHHEEEEETCCEEEEEEEEEECCHHHHHHHHHHHHEEEEEEEHHHTHHHHHETTEEEETCCCCCCTTHTCTCTTCEEHHHHHHHTTTCTEEEEEEETTTCEEEEEEEEETEHHHHHHHHHHHHHHHHHHHCTTCCCHHTHHHHHTTT |
| Chou-Fasman (CF) | CCCCCEEEEECHHHHCHHHHHHHHCEEEEEEEEECEEEEEECCEEEECEEEEECEEEECCHHHHCCCCCEEECCEEEEEEEEEHHHHHHHHHHHCHHHHHHCHHHHHHEEECCCHHHHHCHHHHCCCCHHHHCCCCCCCEEEECCCCCEEEEEEEEECEECEEEEEEEHHHHEEEEEECCEEHHHHHEEECCEECEEEHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHCCCCCCHHHHEEHHHHHEEECCCCCHHHHEEECCCEEEHHHHHHHHHHHHHHHHHEEEECCCCEECCCCCCCEEEEECEEHHHHHHEEECCCCCCCCHHHHHHHHHCCCCEEEECCCCCCCCCEEECHHHHCCCCCCCHHHHHCCCCCCEEEEEEEEEEECCCCCEECCCCCCCEEHHHHHHEEEEECCCCEECCEEEEECCCCCHHHHHCCCEEEEEEHHHHEEECCHHHHEEHHHHEEEEEECCCCHHHHHCCCEEECCCCEEEEHHHHCHHHHHHCCCCHHHHHHCCCCEEEEEEEEEECCCCCCCCCCEEECCCCCCEEEEECCCCEEEEEEEEHHHHCCCCCCCCEEECCCCCHHHHCCCCCCCCCCCCEEECEEEEECCCCCEEEEEHHHHHHEEEECCHHHHHHHEEEECCCCEEECCEEEECCCEEEEEEEECCEEEECCCCCCHHHHCCHHHHCCHHHHCCCCCCCCCCCEEEHHHHHHHHHHHHHHHHHHHHHHCHHHHEEEECCCCCCCCCHHHHHHHCCCCHHHHHHHHHCCCHHHHHHHHHHHHCHHHHHHHHHHHEEEECEEEEECEEEEHHHHHHEEECCCCCCCCCCEEHHHHCCHHHHHHHHHHCCCCCCCEEEHHHHHHHHHHHCCCCCCEEECEEEECCCEEEEEEEEEHHHHHHHHHCHHHHHHCCCCCCEEEECCCCEEHHHHHEEEECCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCEEEHHHHCCCCEEEEEEEEEEEECEEEEEEHHHHHHHHHCCCCCCCCEEEEHHHHCCCCCEEEECCCCCCCCCCCCCHHHHEEECCCCEEEECCCCCEEEEEEEEHHHHEEECCEEEEHHHHHHHHHHCCCHHHHCHHHHHCCCCHHHHEEEEEEEEEEECEEEECCCCHHHHHHHHHHHCCCHHHHHCCEEEEEEECCCCHHHHHEECCCCCCCCCCCCCCCCCCCHHHHCHHHHHHHHHEEEEEEECCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCEEEHHHHHHHHHHHHHHHHCCEEECEECCEEEEHHHHEEEECCCEEEHHHHCCHHHHHHHHHHHHCCCCCEEEECCCEEEEEEECCCCCCHHHHHHCHHHHHHHHHHHHHCCCCCCEEEEEEEEHHHHHEEEEEEEECEECCCCCCCEEEHHHHHHHHHHEECCCCCCCCCEECCCEEHHHHHCHHHHHHCHHHHHHCCCCCCEEEEECCCEECCCCEEEEEECCCEEEEEEHHHHHHCCCCCCEEHHHHHEEECCCCCCHHHHCHHHHEECHHHHHCHHHHEECCCEEEEEEEEEEEEEEHHHHHHHHHHHHHHHEEEEHHHHHHEEEECCCEEEECCCEECHHHHHHHCCCCEEEHHHHHHHHHCCEEEEEEECCCCEEEEEEEEEEEEEHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHCCCC |
| Neural Network (NN) | CCCCCCCEEECCCCCCCHHHHHHCCCCCCEEEEEEEEHHHHEEECCCCCCEEEECCCCCCCCCCCCCCCHHEECCCCCCCEEEEECCCCHHHHHHHHHHHHHHHHHHHHCCCCCCCCHHCCCHHHHHHHHHHHCCCCCCCCCEECCCCCCCCCEECCCCCCCCCEEEECCCCCHHCCCCCCCCCCCCHHHHCCCHEHHHHCCCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCHHHHCCCCCCCCCCCHHHHHHHCCCCHHHHHHHHHHHHHHHHHCCCCCCCCHEEHHCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCHHHHHCCCCCHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEECCCCCCCCCCEECCCCCCCCHHHCCCHCCCCCCCEEEEECCCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCEEEEECCCCCCCCHHHHCCCCHHHCCCCCCCEEEEEEEECCCCCCCCCCCCCCCCCCCCEEEEHCCCCCCCCCCCCCEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEECCCCCCCCCCCCCEEHHCCCCCHHHCCCCHHHHHHHHHHHCCCCCCCEEEEEHHCCCCCEEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCHHHHHHCCCCCCCCHHHHHHHHHHHCCCCCCCCCCCCHCCCCCCEEEEEHHHHHHHHHHCCCCCHHHCCCCHHCHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCCEEEEECCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHCCCCCHHHHHHCCCCCCCEEEEEECCEEEEHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHEEECCCCCCCEEEEECCCCCCCCCCCCHHHHHHHHHHHHHHCCCHHHHHHHHCCCCCCCCCECCCEEEEEECCCCCCCCCHHHHHHHHHCCCCCCCCCCCCCCCECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHCCCCCCCCCHHHCCCCCCCCCCHHCCHHHHHHHCCCCCHHHCCCCCCCHHHHHHHCCCCCCHHHHHHHCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCEEEHHHCCCCCHEEEEEEECCCCCCCCCCCHHHHHHHHHHHHHCCCCCCCCCCCCCHHHHHHCCCCCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCEECCCCCHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHCCCCHHHHHHHHCCCCCCCCCCHHHHHHHCCCCCCEEEEEECCCCCHHHHHHHHHHHHHHHCCCCCCCCCHHHHCCCHHHCCCCCCCCCCCCCCCCCCCHHHHHHHHCCCCCCCEEEECCCCCCEEEEEEECCCCHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHCCCC |
| Joint/Consensus | CCCCCCCEEECCCCCCHHHHHHHHCCCCEEEEEEEEEEEEEEEEEECCCEEEEEECCCCCCCCCCCCCCEEEECCCCCCEEEEEECHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHCCCHHHHHHHHHHHCCCCCCCEEEECCCCCEEEEEEEECCCCCCEEEEECCCCCEEEEECCCCCCCCCCEECCCCCEECCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCHHHHCCCCCCCCCCHHHHCCCCCCCCHHHHHHHHHHHHHHHHHEECCCCCCCEECCCCHHHHHHHHHHHHHHCCEECCCCCCCCCHHHHHHHHCCCCHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEEEECCCCCCCCEEECCCCCCCCHHHHCEEEEECCCCEEEEECCCCCHHHHHHHHHCCCCCCCEECCCCCEECCCCHHHHHHHHHEEECCCCCCHHHHCCCCCCCCCCCEEEEECCCCCCHHHHHHCCHHHHHCCCCCCCEEEEEEEECCCCCCCCCCCCCCCCCCCCEEEECCCCEEEEEEEECCEECCCCCCCCEEECCCCCCCCCCCCCCCCCCCCCCEECCCCCCCCCCCCCEEEHHHHHHHHHCCCHHHHHHHHHHCCCCCCCCCEEEEECCCCEEEEEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHEEEECCCCEEEEEEHHHHHHHCEECCCCCCCCCCCCHHHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCEEEEEECCCCCCCEEEEEHHHHHHHHHHHHHHHCCCCCCCCCEECCCCEEHHHHHHEEECCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCEEECCCCCCCCCEEEEEEEEEEEEHHHHHCHHHHHHHHHCCCCCCCCCCEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEECCCCCCEEEEEECCCCEEECCCCCCHHHHHHHHHHHHHCCCHHHHHHHHCCCCCCCCCEEEEEEEEEEEEEECCCCCHHHHHHHHHHCCCCCCCCCCCEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHCCCEEEECCCCHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHCCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCCCCCCCCEEHHHHCCCCCHHHHCCCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCEEECCCCCCCCHHHHHHHHHHHHHHHHHHCCCCCCCCCEEEEEECCCCCCCEEEEEEEEECCCCCCCCCHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHCCCCHHHHHHHHHHHCCCCCCCCEEECCCCCCCCCCCCEEECCCCCEEEEHHHHHHHCCCCCCCHHHHHHHHHHHHCCCCHHHHHHHHCCCCCCCCCCHHHHCCCEECCCEEEEEEEEECCCHHHHHHHHHHHHEEEECCCCCCCCHHHHCCCEECCCCCCCCCCCCCCCCCCCCHHHHHHHHCCCCCEEEEEECCCCCEEEEEEEEEEEHHHHHHHHHHHHHHHHHHCCCCCCCCCCHHHHCCCC |
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 : Huang S, et al. Identification and characterization of the biosynthetic gene cluster of thiolutin, a tumor angiogenesis inhibitor, in Saccharothrix algeriensis NRRL B-24137. Anticancer Agents Med Chem. 2015; 15:277-84. doi: 10.2174/1871520614666141027145200
Literature
Paper title : Identification and characterization of the biosynthetic gene cluster of thiolutin, a tumor angiogenesis inhibitor, in Saccharothrix algeriensis NRRL B-24137.
Doi : https://doi.org/10.2174/1871520614666141027145200
Abstract : In this study, a new dithiolopyrrolone biosynthetic pathway was identified in Saccharothrix algeriensis NRRL B-24137, which was reported to produce a variety of dithiolopyrrolone natural products including thiolutin, a potential drug candidate for tumor angiogenesis inhibition. Bioinformatics analysis of the cluster revealed that it contains all the essential genes for holothin core biosynthesis and several other auxiliary genes. Interestingly, heterologous expression of the gene cluster in Streptomyces albus only induced the production of holomycin, implying that the gene responsible for the N4-methylation and the gene(s) involved in the formation of various acylated chains on N7 position of the holothin may locate outside the gene cluster. Incubation of holomycin with S-adenosyl-L-methionine (SAM) in the cell-free extract of Sa. algeriensis resulted in the production of thiolutin, suggesting that the N4-methyl group of thiolutin is originated from SAM, and the N4-methylation could be in the late stage of biosynthesis of thiolutin type dithiolopyrrolones. An evolution-based model for biosynthesis of thiolutin and its analogs was further proposed based on these results.