dbacp04904
General Description
Peptide name : Nonribisomal peptide synthase notE
Source/Organism : Mold (strain MF297-2)
Linear/Cyclic : Cyclic
Chirality : Not found
Sequence Information
Sequence : MDSIKLTESHQGLSVLHAKQATETMRETLSSSSSPLSLSSITSPLSSASEPPALGEIQARVSESTLFSNAQVPEFWETCVHEVIQQRCREAPESSAVAAWDGSFTYSELDELSNRLASSLILLGVKAETFVPICMEKSRWATVAILGVMKAGGAFTLLDPSYPLPRLKTICEELSSLVVLSSTTQSERCTQLANVIVVEHLCRAWHPGAYLAQSPATVCPSNVLYVAFTSGSTGKPKGVLIEHRAYSTGAREHLRVFQIDQTSRVLQFSSYAFDVNIMETLSTLMAGGCLCVVGEAQRSDVSLFAEAVDELQVSHAMLTPSFARTVPWENVRHLRVLILGGEEMRESDAAICAERGVRLINAYGAAECSVNATARPGVQPGDNLSTIGHGTGAIAWIIDPDDPERQMGPGTAGELLLEGPIVGRGYLNSPDMTDRVFIDPPTWLRQLRMMDYQHQLYRTGDLAVQDSTGALTLLGRKEGQVKIRGQRVEVAEIEQHIDQVLTAATEVVVEKVTPECDQRDVLMAFVQTGRAAQGWTEGSPFFLPPRPASIQEFSAAQSQLREQLPSYMIPAIFIGVSCIPRTPSGKADRRLLRMTAARLSREELQAFAGSPVHSRPPTTATEHALQQLYADVLELPIMRISMEDSFVRLGGDSIMAVRLVGAARQAGLVLDIRDVLGTARLEEQARKATPVSEETPCEAYVPFSMLGSRCTDRDEVLRVAAEQCGTSPSEIEDIFPCTPLQEGMLALSSSQPQMYVGQIVFGMPEDVDVSQFKAAWQSTADATPILRTRIIHTPQGLLQVVLRGKLAWENYNEHPEACAADVGSQIGSPGAPLIRFALGDGDHRGEFTLTVHHAVWDAWTMRLIHDALERSFQGEMTKKHPFHPFIQYLQQVDGATMDDFWRTELADLEAPSFPALPSTQHRPSPTAMLRHTVEKIEVVPRIHTMASYIHLAWSLLVAHYTDSTEAVYGAIVSGRNSPVAAINELAGPTIATVPVRVRVSPEDTVSAALEQIQTCMVRMVPHEQAGLLRIAKASPDAARACSFQSHLNIQVVEQEHRLLPARRGIASTGMELTRFSSYALNLMLQLSPDNTSVTVDIAYDPQVLSAWEVDRMIHQWEHILRQICREPSGSLQELDFASPQDRDLLRLRNSETPTVDWRCLHDLVLAQEARQPSREAVSAWDGDFTYRELAELSSNFARLLNLFAVGRGSFVPICMDKSRWAIVSILAVLQAGATCVLLDPQHPRQRMQDTIAGLSVPVLVNAPSTAPVTKGLCAIELCVSAKLTEQLWTNAYGSRFQTHVDPDDLAFLIFTSGSTGVPKGIAMPHCTVSSSIYHNSAPMMFDADTRALHFSSYAFDVSIYEIFTTLASGGCVCVPSEFQRTNELADFIQQRAVNWTFLTPSTAQSLHPSEVPGVATLVLGGEAVTPDHVKTWAPGRSLINGYGPAEATICAVGPMPEHGWDPGNIGHVVGGVGWVTIPSDPSRLAAIGAIGELLLEGPFLARGYLNQHEATAASFISPPPWHRTLLPDCDAETTRLYRTGDLVQYEEDGSIRYIGRRDTQLKLRGQRIDLGEIETQLRRSFPGVHDVVAEAIQLPILQDRAALVAFIGCQEAQVTESAVGEQVLSAVDESFQHTVSLAQTRLQAILPPYMLPSVFFPLAHCPKTLTGKTDRRYLRQAVLALPPHELQRYRVAGRQKARIPVSRGPELRLQSIWADLLRIPCDDIGSDDTFLLHGGDSVAAMRMVALARRADFTFRVTDVLSNCTLSELARCTGEEPCLTDGDGTLPTTHEFESGHKMVDSPVSADYHTGMIGTELEMENDAIAVYPTTQAQSFLIKRYPWTHWRFSFHGEVSVERLRTACARLVAAHSIMRTLFVAGAGGERVRHVVMKELDIPLHTGTTHKNLVDYCQSICDAEQEMDVLEAVLPTRLTLISDALQTSHIFILRLSHAQYDGICVPKIFADLEALYNGTEPIAPTRFERYLDERRWYSGERARAFWKEYLAGSSPPCTMPVKATPPTDSDDSRPSAARSVISASQTVRCTAIPFQVTLATVVKAAACLVLARLTGRTDITVGQTVNGRSLPQPWVSEVVGPCVNYIPFRATLSESMSIQDYLVHMQSQHNRCIHYDGAELDTIIKNCTTWDPSTEFGFILQHQNIDMDLSLTLDGNRCASCASSGRLRPSNEVWICSTPSPSGVDLDVVASSQTLTADAAKNLVDDIADMIQTLLYNLETPLRDVVEFD
Peptide length: 2240
C-terminal modification: Cyclic
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 : 245920.922 Dalton
Aliphatic index : 0.895
Instability index : 47.4476
Hydrophobicity (GRAVY) : -0.090
Isoelectric point : 5.3682
Charge (pH 7) : -66.9736
Aromaticity : 0.067
Molar extinction coefficient (cysteine, cystine): (251530, 254655)
Hydrophobic/hydrophilic ratio : 1.14765100
hydrophobic moment : 0.0026
Missing amino acid : None
Most occurring amino acid : L
Most occurring amino acid frequency : 220
Least occurring amino acid : W
Least occurring amino acid frequency : 33
Structural Information
3D structure : Not Available
Secondary structure fraction (Helix, Turn, Sheet): (0.3, 0.2, 0.3)
SMILES Notation: 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Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | HHHHHHHHHHTTEEEHHHHHHHHHHHEEETTTCCCEEEEEEECCECTTCCCCTHHHHHHHHTTEEEEETTCCCHHHHHHHHHHHHHHHHTCTTHHHHHEETTTCCECTHHHHHHHHHHHEEEEHHHCHHECHHHHHHHHHHHHHHHHHHHTTCCEEEECTTCCCCTTEEEHHHHTHEEEEEEECCTHHHHHHHHEEEEHHHHHTTCTTCEECCCCCEECCTTEEEEEEETTCCCCCTTEEEHHHHHTTTHHHHHEEEEEHCCCEEEEEECCEEHHHHHHHHHEEETTTEEEEETHHHHTHHHHHHHHHHHHHHHHHEECCCEEEECTTTHHHHHEEEETTCHHHHHHHHHHHHHTTHEEEEHTTHHHHHHHTCCCCTCCCCCTEEEEEECCCEEEEEECCCCCTTETCCCCCCCEEETCCEEEEEECTCCCCCEEEECCCCCHHHHHHHHHHTTTTEEEECEEEECCTTCEEEHHHHTTHEHHHTHHHHHHHHHHHHHHHHHHHHHEEEETCCCTHHHHHHHHEEHHHCHHTTTCCTTCCCCCCCCCTCHHHHHHHHHHHHTTCTTTCCEEEEEEEEECCCCCTTCCHHHHHHHHHHHHHHHHHHHHTTCCEECCCTCEEEHHHHHHHHHHHHHCHHHHHHHHHHHHETTTCCHEEEEHHHHHHHTTEEEEEEEHHTCHHHHHHHHHTCCCTTTCTTHTCCCEEETTTTTCCTTHHHHHHHHTTCCCTCCEEEECCCCCTTTHEEEETTTCCCEEEEEEEECCCCCHHHHHHHHHHHHCTTCCHHEEEEEEECCCCCEEEEEETTHHHTTTTTCHHHHHHHTTCEECCCCCCEEEEEETTTTCTTHEEEEEEEHHHHHHHHHHHHHHHHHHHHHHHHTTCTCCCHHHEEEECTTCCEHHHHHHHHHHHHCTCCCCCTTCCCCTCTTHHHHHHHHHHHHEHHHHHEEEHHHHHHHHHHEEETTTCHEEEEEEEECCCCCEEEHHHTTCCCEEEEEEEEEECCTCHHHHHHHHHHHHHEEECCHHHHHHHHHHHCCCHHHHHHHHTTCCHHHHHHHHHHHCHHHHTEECTTCHHEEHHHHTHHHEEEECCTCCEEEEEEECCCCHHHHHHHHHHHHHHHHHHHHHECCTTTCCEEEHHCCCCCTHHEEETTTTCCCEEHHHHTHHHHHHHHHCTHHHHEEECTTTHHHHHHHHHHHHHHHHHHHHEECCTCECEEEHHTHHHHHEEEHHHHHTTCEEEEECTCCCHHHEEECEETEEEEEEEECCCCCCCCCCEEHHHHHHHHHHHHEEEEHHTTEEEEECCCCTTHHEEEEETTCCCCCCEEEEEEEEETTEEECTTCCHHHHHHHHHHHETTCETTTHEEEEEEEETTTCEEECCTTHHHHHHHHHHHHHHHTTEEEECCCCTETCCCTTCCTEEEEEETCCEECCTCEEECCTTTEEEETCCCCTHEEEETCCCCCTTCCTTCEEEEEEEEEEEECCCCCCHHHEHHHHHHHHHTCCHHHHTHTTHHHHHHEEEECCCCCCETTCCTTTTTHHEEEETTCCEEETTTTCEEEEECCHHHHHHTTCEEETTHHHHHHHTTCTTCEEEHHHHHHCHHHHHHHHHEEEHHHHHHHHHHHHHHHHEEHHHHHHHEEEEHHHHHEEEECCCCCCCCCEECCTTTCTTCCTTCCCHHHHHHHEETCCCTHHHHHHHHHHHHEECEECTCCCHEHHHHHHHHTECCCCCTTCCCEEEEETCCHHHHHHHHHHHHHHHHEEEEEETTTTTCCTTHHTTTTTCTTEETTTTCCCCCHHHHTTHEEECCTTTTTTEEEECCCHHHHHHHHHHECCCCCCHEEEEETCTTTHHHHHTTTTHHHHHHHHHHHHHHHHHHHHHEEEEHTTTTHHHHHHHHHHHHCHHEETCCCETCEETTETCHHHHHHHHHHHHHCHHEEEEEEHHHHHEEEEEEEHTTTTCTTCECCCCHHHHHHHTTTCCCCCCHHHHTHHTHHHHTTTHHHHHHHHHEETTTCCTCCCCETCCCCCCCCTCCCTHEEEEEEETEEEEEEECCCEEEEEHEHHHHHHHHHHHETEEEEEEEEEEEECCCCCCCCEEEEECCCECCCCEEHHHTTHHHHHHHHEEEHTTTTTEEECTTCCHHHEEEECCCCCTTCHHHEHHHHTCCCHHHEEECTTCTEEETTTTTCECTTTEEEEEECCCCCCEEEEEEETTHEEHHHHHHHHHHHHHHHHHHEETTTTCCCHHHEEEH |
| Chou-Fasman (CF) | CCEEHHHHCCCEEEHHHHHHHHHHHHHCCCCCCCCCCEEEEECCCCCCCCCCHHHHHHCCCCCEEECCCCHHHHHHEECCCEEEHHHHHHHCCCHHHHHCCEEEEHHHHHHCCHHHHEEEEEEHHHHEEEEEHHHHCCEECEEEEEECCCCCCCCCCCCCCCCCCCEEEHHHHEEEEEEEEEEHHHHEECCCEEEEEHHHHHHHCCCCCCCCCCEEEECCEEEEEEEEEEECCCCCEEEHHHHCEECCHHHHEEEEECCCEEEEEEEECCCCEEEHHHHEEECCCCCEEEEEHHHHCEEEEHHHHHHHHHEEHHHHEEECCCEEEECCCEECEEEEEEHHHHHHHHHHHHHHHHEEEECCCHHHHHEEEECCCCEEEECCCCEEEEECCCCCCEEEECCCHHHHHCCCCCHHHHHHCCEEEECEEECCCCCCEEEEECCCEEHHHHHHHHHCCEEEECCHHHHCCCCEECEEHHHHHHEEEEECCCCHHHHHHHHHCCEEHHHHEEECCCEECHHHHEEHHHHEEEECHHHHCCCCCCEEECCCCCCCHHHHHHHHHHHHHHCCCEECEEEEEEEEEEECCCCCHHHHHHHCHHHHHHHHHHHHHHCCEEEECCCCEEHHHHHHHCCCCHHHHHEEEEEHHHHEEEECCCEECCCCEEEHHHHHHEEEECCEEEEECHHHHHHHHHCEECCCCCCCCCEEECCCCCCEEECHHHHCHHHHHHEECCCCHHHHEEECEEHHHHHHHHCCCCCCEEEEEEEECCCCCEEEEHHHHHHEECCCCEEEEEEEEEECCCCCEEEEEHHHHHHCCCCCHHHHHHHHEEEEEECCCCCEEECCCCCCCCCCCCEEEEHHHHHHHHEEEEHHHHHHHEEHHHHHHHCCCCEEEEEEEEECCHHHHHHCHHHHHHHHHCCCCCCCCEECCCCCHHHHEEHHHHHEEEECEECCCEEEHHHHEECCEEEEEHHHHEEEEEEECCCCCCCHHHHHCCEEEEEEEEEEEECCCCEEHHHHHHEEEEECEEEHHHHHHHCHHHHCCCHHHHHHEECCCEEEEEEHHHHHHHHCCEEEECCHHHHEEEECCHHHHHHHCCCCCEEEEEEEECCCEEEHHHHHHHHHCHHHHEEEEECCCCCCCHHHHHHCCCCHHHHHHHCCCCCEEEECCHHHHCHHHHHHHCCCHHHHCCCCCEEEEHHHHHHCCHHHHHHHHEEEECCEEEEECCCCCCEEEEEEEHHHHHHEEEEECCCCCCCHHHHEEEECEEEEEECCCCCCEEEEEHHHHHHHEEHHHHHHHEEEECCCCEEEEECCCCHHHHEEEEEEEEECCCHHHHCCEEEEEEEECCCCHHHHHHHHHHHHCCCCCCEEEEEEEEEEECCCEEEEECCCCCCHHHHHHEEECCCEEEEEEEECEECCCCCCCCCCEEEEEEHHHHEECCCEECCCCCCEEEECCCHHHHEEEECCCCCCCCCCCCCCEEEEEEEEEEEECCCCCHHHHHEEHHHHHHCCCCCCCEEEHHHHHHHHEEECCCCCEEEECCCHHHHEEEEEECEECEECCCCEEEEEEECCCHHHHHHCCCCCHHHHCCCCCCCCCCEEEEHHHHHEEEEHHHHHHHEEEEEHHHHEEECCCHHHHEEEHHHHHHEEEEECCCEEHHHHCCCEECEEEEEHHHHCCCEEEECCCCEEEHHHHHHCCCCCCEEEEEECCCCCCEEEECCCHHHHEEEHHHHEEECCCCEECCCEECCCCCCHHHHHHHHHHHHHHHEEEEEEEEECEEEHHHHHHCCHHHHEEECCCCCEEEHHHHCCCCCCCCCCCCCCEEEEEEEHHHHHHHHHEEEEEEECCCEEECCCEEEEECEEECCCCEECCCCHHHHHHHHHHHEEEEEEEECCCCCCCEEEEEHHHHEEECEEEEECCCEEEEEEEEHHHHHHHHHHHHHEEEEEEEEHHHHEEEEEEEEHHHHHHCEEEEEEEHHHHHHHHEECCCCCCCCHHHHHHHHHEEECCHHHHHHHHHHCCCCCCCEEECCCCCCCCCCCCCCCCCCEEEEECEEEEECEEEEEEEEEEEEEHHHHEEHHHHEEECEEEEEEEEEECCCCCCEEEEEEEEECEEEEECCCCHHHHEEEECEEHHHHHCCCEEEECCHHHHEEEEECEEECCCCCCCEEEECCCCHHHHHEECCCCCHHHHCCCCCCCCCCCCEEEECCCCCEEECCEEEECEEEEHHHHHHHCCCHHHHHEEEEEEHHHHCCEECCCCCC |
| Neural Network (NN) | CCCHHCCHCCCCHHHHHHHHCHHHHHEEECCCCCCCEEECCCCCCCCCCCCCCCCCHHHHHCCCCCCCCCCCCCCCHHHCHHHHHHCCCCCCCCCCHEEECCCCCCCCHHHHHHHHHHHHHHHHHCCCCCCHHHHHCCCCHHHHHHHHHHCCCCEECCCCCCCCCCCCCHHHHHHHEEEEECCCCCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCEEEEEEECCCCCCCCCEEEEEHCCCCCCHHHHHHHHCCCCCEEEEECCCCCHHHHHHHHHHHHCCCCEEECCCCCCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCHHHHHHHEEECCCCCCCCCCHHHHHHHHHHHEHCCCCCHHHCCCCCCCCCCCCCCCEEECCCCCCEEEECCCCCCCCCCCCCCCCCHHCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHCCCCCCCCEECCCCCHHHHHCCCCCCHHCCCCCHHHHHHHHHHHHHHHHCHHHHHHCCCCCCCCHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCEEEEEECCCCCCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCHEECCCCCCEEHHHHHHHHHHHHHHHHHHHCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCHHHHHCCCCCCCEEEEEEECCCCCCCHHHHHHHHCCCCCCCCCCCEEEECCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCEEEECCCCCCCCCEEEHHHHHHHHHHHHHHHHHCCHHHHHHCCCCCCCCCCCCEECECCCCCCCCCHHHHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHCCCHHECHHHHHHHHHHHHHHHHHHHCCCCCCCEEEEEEECCCCCCCCEEHCCCCCCCCCEEEEEECCCCCCCHHHHHHHHHHHHHHCCCCHHHHHHHCCCCCCCHHHHHHHCCCCHHHHHHHHHCCCCCCCCCCCCCEEEHHHHHHHHHHHCCCCCCCCEEEEECCCCCCHHHHHHHHHHHHHHHHCEEECCCCCCCCCCCCCCCCCCHHHHHHCCCCCCCCHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCEEECCCCCCHHHHHHHHHHCCCHHECCCCCCCCCCCCCCCCCCCCEEEECCCCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCEEEEEECCCCCCCCCCCCEEECCCCEEECCCCCCHHHHCHHHHHCCCCCCCEEEEEEEEEECCCCCEECCCCCCCCCCCHHHHHHHHCCCECCCCCCCCCCCCCCCCCCEEEEECCCCCCCCCCCCCCCCCEEECCCCCCCCEEECCCCCCCCCCCCCCCEEEEECEEEEECCCCCCCHHHHHHHHHHHHCCCCHHHCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCHHECCCCCCEEECCCCCEEEECCCCCHHHCCCCCCCCCCHHHHCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCCHCCHCCHHHHHHHHCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCHHHHHCCCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCCCCEEECCCCCHHHHHHHHHHHHHCCCHEEEEEECCCCCCHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHCCCCHCCCCCCCHHEEEECCCCCCCCEECCCCHHHHHHHHHHHHHHHHHHHHHEEEECCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHCHHHHHCHHHHHEEEEHCCCCCCCCCCCCCHHHHHHHCCCCCCCCCCCCCHHHCCCHHCCCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEECCCEEECCCCCCHHHHHHHHHHHHHHHHHHCCCCCCEEEEEEECCCCCCCCCCCCCCCCCCCCCCCEEECCCCCCHHHHHHHHHCCCCCCEECCCCCCCEEEECCCCCCCCCCCCHEHHCCCCCHHHHHCCCCCCCCCCCCCCCCCCCCCEEEECCCCCCCCEEEEEHCCCCHHHHHHHCCCCCHHHHHHHHHHCCCCCCCCHHCCC |
| Joint/Consensus | CCCHHHHHCCCCEEHHHHHHHHHHHHEEECCCCCCCEEEEEECCCCCCCCCCCHHHHHHHHCCEEECCCCCCCHHHHHHCHHHHHHHHHCCCCCHHHHEECCCCCCCCHHHHHHHHHHHEEEECCCCCCCCHHHHHCCCCHHHHHHHHHHCCCCEECCCCCCCCCCCEEHHHHHCCEEEEEEECCCHHHHHHHHEEEHHHHHHCCCCCCCCCCCCCEECCCCEEEEEEECCCCCCCCCEEECCCCCCCCHHHHHEEECCCCCCEEEEECCCCCHHHHHHHHHCCCCCCEEEECCCCCCCCHHHHHHHHHHHHHHHHEECCCCEEECCCCHHHHHEEEECCCHHHHHHHHHHHHHCCCEEECCCCHHHHHCCCCCCCCCCCCCCEEEECCCCCCEEEECCCCCCCCCCCCCCCCCCCCCCCEEEEEECCCCCCCEEEECCCCCHHHHHHHHHHCCCCCCCCCCEECCCCCCEEHHHHHCCCCCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHEECCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHCCCCCCCCEEEEEEEEECCCCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCHHHHHHHHHHHHHCHHHHHHHHCCCEECCCCCCEEEEHHHHHHHCCEECCEEECCCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCEECCCCCCCHHHHHCCCCCCCEEEEEEECCCCCCCHHHHHHHHCCCCCCCCCCEEEEEECCCCCCEEEEHHHHHHCCCCCCCHHHHHHCCCCEECCCCCCEEEEECCCCCCCCCEEEEHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCEEEEECCCCCCHHHHHHHHHHHHCCCCCCCCCCCCCCCCCHHHHHHHHHHHEEHHHHHCEEHHHHHHHHHHEEECCCCCEEEEEEECCCCCCCCCCCCCCCCCEEEEEEEEECCCCCCHHHHHHHHHHHHEEECCHHHHHHHHHHCCCCHHHHHHHHCCCCCHHHHHHHHHHCCCCCCCCCCCCCEEEHHHHHHHHHHCCCCCCCEEEEEECCCCCCHHHHHHHHHHHHHHHHCEECCCCCCCCCCCCCCCCCCCHHHHHCCCCCCCCCCHHHHHHHHHHHHHCCCHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHEECCCCEEEEECCCCCCCCEEEHHHHHCCCEEECCCCCCCCCCCEEEECCEEEEEEECCCCCCCCCCCCHHHHHHHHHHHHHEEEECCCCEEEEECCCCCCCCEEEEECCCCCCCCCCCCEEEEECCEEECCCCCHHHHHHHHHHHCCCCCCCEEEEEEEEEECCCCEEECCCCCCHHHHHHHHHHHHHCCEEEECCCCCCCCCCCCCCCEEEEEECCCEECCCCCCCCCCCCEEECCCCCCCCEEECCCCCCCCCCCCCCEEEEEEEEEEEECCCCCCHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHEEECCCCCCCCCCCCCCCCCCCEEECCCCCEEECCCCCEEEECCCHHHHHHCCCCCCCCHHHHHCCCCCCCCEEHHHHHHHCHHHHHHHHHEEEHHHHHCCCCCCHHHHHEEHHHHHHHEEEEHHHHHHHCCCCCCCCCCCEECCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCHHHHHCCCCCCEEEECCCCCHHHHHHHHHCCCCCCCCCCCCCEEEECCCCHHHHHHHHHHHHHHCCEEEEEEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEECCCHHHHHHHCCCCCCCCCCCEEEEECCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHEEEECCCCCCHHHHHHHHHCCCCCEECCCCCCCEECCCCCHHHHHHHHHHHHHCCCEEEEHHHHCCCEEEEEEECCCCCCCCCCCCCCHHHHHHHCCCCCCCCCHHHHHHHCCCCCCCCHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEEEEEEEEEEECCCEEEEEEEHHHHHHHHHHHCCCEEEEEEEEEECCCCCCCCCEEEEECCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCEEECCCCCCCEEEEECCCCCCCCCCCEECCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEECCCCCCCCEEEEECCCCCHHHHHHHCCCHHHHHHHHHEECCCCCCCCCCCCCC |
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 : Li S, et al. Comparative analysis of the biosynthetic systems for fungal bicyclo[2.2.2]diazaoctane indole alkaloids: the (+)/(-)-notoamide, paraherquamide and malbrancheamide pathways. Medchemcomm. 2012; 3:987-996. doi: 10.1039/C2MD20029E
2 : Ding Y, et al. Genome-based characterization of two prenylation steps in the assembly of the stephacidin and notoamide anticancer agents in a marine-derived Aspergillus sp. J Am Chem Soc. 2010; 132:12733-40. doi: 10.1021/ja1049302
3 : Kato H, et al. Notoamides A-D: prenylated indole alkaloids isolated from a marine-derived fungus, Aspergillus sp. Angew Chem Int Ed Engl. 2007; 46:2254-6. doi: 10.1002/anie.200604381
4 : Li S, et al. Biochemical characterization of NotB as an FAD-dependent oxidase in the biosynthesis of notoamide indole alkaloids. J Am Chem Soc. 2012; 134:788-91. doi: 10.1021/ja2093212
Literature
Paper title : Comparative analysis of the biosynthetic systems for fungal bicyclo[2.2.2]diazaoctane indole alkaloids: the (+)/(-)-notoamide, paraherquamide and malbrancheamide pathways.
Doi : https://doi.org/10.1039/C2MD20029E
Abstract : The biosynthesis of fungal bicyclo[2.2.2]diazaoctane indole alkaloids with a wide spectrum of biological activities have attracted increasing interest. Their intriguing mode of assembly has long been proposed to feature a non-ribosomal peptide synthetase, a presumed intramolecular Diels-Alderase, a variant number of prenyltransferases, and a series of oxidases responsible for the diverse tailoring modifications of their cyclodipeptide-based structural core. Until recently, the details of these biosynthetic pathways have remained largely unknown due to lack of information on the fungal derived biosynthetic gene clusters. Herein, we report a comparative analysis of four natural product metabolic systems of a select group of bicyclo[2.2.2]diazaoctane indole alkaloids including (+)/(-)-notoamide, paraherquamide and malbrancheamide, in which we propose an enzyme for each step in the biosynthetic pathway based on deep annotation and on-going biochemical studies.
Paper title : Genome-based characterization of two prenylation steps in the assembly of the stephacidin and notoamide anticancer agents in a marine-derived Aspergillus sp.
Doi : https://doi.org/10.1021/ja1049302
Abstract : Stephacidin and notoamide natural products belong to a group of prenylated indole alkaloids containing a core bicyclo[2.2.2]diazaoctane ring system. These bioactive fungal secondary metabolites have a range of unusual structural and stereochemical features but their biosynthesis has remained uncharacterized. Herein, we report the first biosynthetic gene cluster for this class of fungal alkaloids based on whole genome sequencing of a marine-derived Aspergillus sp. Two central pathway enzymes catalyzing both normal and reverse prenyltransfer reactions were characterized in detail. Our results establish the early steps for creation of the prenylated indole alkaloid structure and suggest a scheme for the biosynthesis of stephacidin and notoamide metabolites. The work provides the first genetic and biochemical insights for understanding the structural diversity of this important family of fungal alkaloids.
Paper title : Notoamides A-D: prenylated indole alkaloids isolated from a marine-derived fungus, Aspergillus sp.
Doi : https://doi.org/10.1002/anie.200604381
Abstract : Not available
Paper title : Biochemical characterization of NotB as an FAD-dependent oxidase in the biosynthesis of notoamide indole alkaloids.
Doi : https://doi.org/10.1021/ja2093212
Abstract : Notoamides produced by Aspergillus spp. bearing the bicyclo[2.2.2]diazaoctane core structure with unusual structural diversity represent a compelling system to understand the biosynthesis of fungal prenylated indole alkaloids. Herein, we report the in vitro characterization of NotB, which catalyzes the indole 2,3-oxidation of notoamide E (13), leading to notoamides C (11) and D (12) through an apparent pinacol-like rearrangement. This unique enzymatic reaction with high substrate specificity, together with the information derived from precursor incorporation experiments using [(13)C](2)-[(15)N](2) quadruply labeled notoamide S (10), demonstrates 10 as a pivotal branching point in notoamide biosynthesis.