dbacp05782
General Description
Peptide name : Putative nonribosomal peptide synthetase P4-G7-NRPS
Source/Organism : Gram-negative bacillus
Linear/Cyclic : Cyclic
Chirality : Not found
Sequence Information
Sequence : MTMARLMTDLADAGVTLRRRGDQLQVQAPQGALDAALVARLREAKEELLRVLDDEGARAAPLAPAQPGEAGDAAALSPGQARLVAATRLGDPAMYNEQAAIELADAVDAEAVARAFAALARRHDILRTVFSDGEPVRQTVLPEPIVTLQAWTVDGDDALRARAADLARLPFAAGAPMWRVDLFSTPERAAVLVLTIHHAIFDRWSMSVLIRDFSAYLALPDAAEAPASGLSYRDYSAWQRRWMASPDYAAQLDAWVDDLAEVDEVPAIRGDRPRPPAMSGRGGTERFEIPADCMDAAAAFSRSRNTTLFTTLFSAFALLQHRYTGEARALTLTPAANRPFQAAEEIAGYFVNLVALATEVGEGDSFGALVDRARDASARAFARQGVPLDAIVERLRARGGPRHEQFAQTVFAFQNVRLPAVRTASGAAVPFDLDSPFARFDLYLSIEGDERGTFAVWQYNTDLYEAATIRQLGEHYLALLRAALASPDADARALPILSAEEEARLRGWGRHELPYRADAAIDRLFRERAADHPGRVALEQGGVRWTYAELDQWSDRAAGALRAAGVEAGAVVGVAGERSPRLLAAFLAVLKAGAAYLPLDPTYPAARLRAMTADAAPALMIIADGLDAGWLGDYAGPVLSLADCEAGVARPLQSEARPAEAESL
Peptide length: 664
C-terminal modification: Cyclic
N-terminal modification : Not found
Non-natural peptide information: None
Activity Information
Assay type : GFP assay
Assay time : Not found
Activity : Not found
Cell line : NIH 3T3
Cancer type : Cutaneous T-cell lymphoma
Other activity : Not found
Physicochemical Properties
Amino acid composition bar chart :
Molecular mass : 71435.7709 Dalton
Aliphatic index : 0.908
Instability index : 45.0849
Hydrophobicity (GRAVY) : -0.062
Isoelectric point : 4.9722
Charge (pH 7) : -21.6711
Aromaticity : 0.076
Molar extinction coefficient (cysteine, cystine): (84340, 84465)
Hydrophobic/hydrophilic ratio : 1.50566037
hydrophobic moment : -0.097
Missing amino acid : None
Most occurring amino acid : A
Most occurring amino acid frequency : 139
Least occurring amino acid : K
Least occurring amino acid frequency : 2
Structural Information
3D structure : Not Available
Secondary structure fraction (Helix, Turn, Sheet): (0.4, 0.2, 0.3)
SMILES Notation: 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Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | HHHHHHHHHHHHTTHEEEETTCCEEECCCTCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHCTTCHHHEEHEETCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHEEEEECTTCCEEEEECCCCEEEEEEEEECCCHHHHHHHHHHHHCHHHTTCHHHEEETTCCHHHHHHEEEHEEHHHHHHHHHHEEHHHHHHHHTCCHHHHCHTTTCEEEETTHHHHHHHCCCHHHHHHHHHHHHHHHHHHCHHETTCCCCCCTETTTTCCCEEHCHHHHHHHHHHHHHTTTTEEEEEEHHHHHHHHHTTTTHHHHEEECCCTCCHHHHHHHHHHHEEHHHHHHHHHCTCCCTHHHHHHHHHHHHHHHHHTTCCCHHHHHHHHHTTCCCHHHHHHHHHHHHTHCCTEEEEETTCCCCCCCTCTTHHHHHTETCTTCHTHEEEEETTTTTHHHHHHHHHHTHHHHHHHHHHHCCCCHHHHHCHHHHHHHHHHHHTTTTTTCHHHHHHHHHHHHHHHHTTCTTHEEEETTCEEEEEHHHHHHHHHHHHHHHHHHHHHHEEEEEECCTCHHHHHHHHHHHHHTCCECTCCCCCCHHHHHHHHHHHCHHHHEEEHCCCTTEEECTTCCCEEEHHHHHTHCCCHHHHHCHHHHHHH |
| Chou-Fasman (CF) | HHHHCHHHHHHHEEEECCCCCCEECCCCCHHHHHHHHHHHHHHHHHHEEEHHHHHHHHHHCCCCCCHHHHHHHHCCCCHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHEEEEECCCCCEEEEECCCEEEECCEEEECCHHHHHHHHHHHHHCHHHHCCCCEEEECEECCHHHHEEEEEEHHHHCCCEEEEEECCCCEEHHHHHHHHHHHCCCEECCCCCHHHHHHHCCCCHHHHHHHHCHHHHHHHHHCCEECCCCCCCCCCCCCCCHHHHHCCHHHHHHHHHCCCCEEEEEEEEHHHHHHHHEEEEHHHHHHEEHHHHCCCHHHHHHHEEEEEEHHHHHHCCCCCCCCCCCCHHHHHHHHHHHHHEEEECCCCCHHHHHCCCCHHHHHHEEEECCEEEECCCEEECHHHHEECCCCCCHHHHCCEECCHHHHCEEEEEEEECCCHHHHHEEECCCCHHHHHHHHHHCCCHHHHHHHEEEHHHHHHHCCCCCHHHHCCHHHHHHHHHHHHHHHHCCEEHHHHCEEEEEEHHHHHCCCHHHHHHHHHHHHHHHEEEEECCCCCCHHHHHHCHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHEEEHHHHHHHCCCCCCCEEEHHHHHHHHCCCCCHHHHHHHHHHCCC |
| Neural Network (NN) | HHHHHHHHHCCHHHHHHCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCHCCCCCHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCEEECCCCCCCCCCCCCCCCEEEECCCCCCCCHHHHHHHHHHHHCCCCCCCCHEECCCCCCCHHHHHHHHHHHCHHHHHCHHEEEHHCCHHCCCCCCCCCCCCCCCCCCCCCHHHHCCCCCCCHHHHHHHHCCCCHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCEEEEEHHHHHHHHHHHCCCCCHHHHCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHCCCCCCHHHHHHHCCCCCCCCCCHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCHHHHHCCCCCCCCCCEEEEECCCCCHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHHHCCCCCCCCHEHCCCCCCEEECCCCCCCCHHHHHHHHHHHHCCHEEEECCCCCCHHHHHHHHHHHHCCCCCCCCCCCCCHHHHHHHCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHH |
| Joint/Consensus | HHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHCCCCCHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCEEEECCCCCCEEEECCCCCEEEEEEEECCCCHHHHHHHHHHHHHHHHCCCCCCEECCCCCHHHHHHEEEHHHHHHHHHHCCCEECCCCCCCCCCCHHHHCCCCCCCCCCCCHHHHHHCCCCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHCCCCEEEEEHHHHHHHHHHCCCCHHHHEECCCCCCCHHHHHHHHHHHEEHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHCCCCCCHHHHHHHCCCCCCHHHHHHHHHHHHCCCCCEEECCCCCCCCCCCCCCCHHHHHCCCCCCCCCCEEEEEECCCCHHHHHHHHHHCHHHHHHHHHHCCCCCHHHHHCHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCEEEEECCCCCCHHHHHHHHHHHHHHHCEEEEECCCCCHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHHHHHCHHHHCCCCCCCCCCCCCCCCCCCCCHHHHHCCCCCHHHHHCHHHHHHH |
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 : Cheng YQ, et al. Characterization of a gene cluster responsible for the biosynthesis of anticancer agent FK228 in Chromobacterium violaceum No. 968. Appl Environ Microbiol. 2007; 73:3460-9. doi: 10.1128/AEM.01751-06
Literature
Paper title : Characterization of a gene cluster responsible for the biosynthesis of anticancer agent FK228 in Chromobacterium violaceum No. 968.
Doi : https://doi.org/10.1128/AEM.01751-06
Abstract : A gene cluster responsible for the biosynthesis of anticancer agent FK228 has been identified, cloned, and partially characterized in Chromobacterium violaceum no. 968. First, a genome-scanning approach was applied to identify three distinctive C. violaceum no. 968 genomic DNA clones that code for portions of nonribosomal peptide synthetase and polyketide synthase. Next, a gene replacement system developed originally for Pseudomonas aeruginosa was adapted to inactivate the genomic DNA-associated candidate natural product biosynthetic genes in vivo with high efficiency. Inactivation of a nonribosomal peptide synthetase-encoding gene completely abolished FK228 production in mutant strains. Subsequently, the entire FK228 biosynthetic gene cluster was cloned and sequenced. This gene cluster is predicted to encompass a 36.4-kb DNA region that includes 14 genes. The products of nine biosynthetic genes are proposed to constitute an unusual hybrid nonribosomal peptide synthetase-polyketide synthase-nonribosomal peptide synthetase assembly line including accessory activities for the biosynthesis of FK228. In particular, a putative flavin adenine dinucleotide-dependent pyridine nucleotide-disulfide oxidoreductase is proposed to catalyze disulfide bond formation between two sulfhydryl groups of cysteine residues as the final step in FK228 biosynthesis. Acquisition of the FK228 biosynthetic gene cluster and acclimation of an efficient genetic system should enable genetic engineering of the FK228 biosynthetic pathway in C. violaceum no. 968 for the generation of structural analogs as anticancer drug candidates.