NPdia

BGC0000445NRPS

Thiocoraline

Producing organism: Micromonospora sp. ML1
Taxonomy: Bacteria›Actinomycetota›Actinomycetes›Micromonosporales›Micromonosporaceae›Micromonospora
Biosynthetic class: NRPS (Type I)
Total steps: 13
DOI: 10.1002/cbic.200500325
MIBiG entry: View on MIBiG ↗

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thiocoraline

C₄₈H₅₆N₁₀O₁₂S₆1156.24 Da

Biosynthetic (core)

Biosynthetic (additional)

Regulatory

Transport

Unknown

Domains

Ketoreductase (KR)

Acyl carrier protein (ACP)

Condensation (C)

Adenylation (A)

Peptidyl carrier (PCP)

Thioesterase (TE)

Epimerization (E)

Methyltransferase

Aminotransferase I/II

TIGR01720

13 steps · 12 edges

Starting stepIntermediateFinal product│ModuleLoadingTENo module│PKS stepNRPS stepTailoring/otherScroll to pan · Wheel to zoom

Step	Product ID	Enzyme	Module	Substrate	Product SMILES	Notes
1	`445-1`	start	—	L-Tryptophan	`NC(C(O)=O)CC1=CNC2=CC=CC=C21`	—
2	`445-2`	tioF	—	445-1 from: 445-1	`NC(C(O)=O)CC(C1=CC=CC=C1NC=O)=O`	—
3	`445-3`	tioL	—	445-2 from: 445-2	`NC1=CC=CC=C1C(CC(C(O)=O)N)=O`	—
4	`445-4`	tioG	—	445-3 from: 445-3	`OC1=CC(C(O)=O)=NC2=CC=CC=C21`	—
5	`445-5`	tioH	—	445-4 from: 445-4	`O=C(C1=NC2=CC=CC=C2C=C1)O`	—
6	`445-6`	tioI	—	445-5 from: 445-5	`OC1=CC2=CC=CC=C2N=C1C(O)=O`	—
7	`445-7`	tioJ;tioO	—	445-6 from: 445-6	`OC1=CC2=CC=CC=C2N=C1C(O)=O`	—
8	`445-8`	tioR	M1	445-7;D-Cysteine from: 445-7	`OC1=CC2=CC=CC=C2N=C1C(NC(C(O)=O)CS)=O`	—
9	`445-9`	tioR	M2	445-8;Glycine from: 445-8	`OC1=CC2=CC=CC=C2N=C1C(NC(C(NCC(O)=O)=O)CS)=O`	—
10	`445-10`	tioS	M3	445-9;N-Me-L-Cysteine from: 445-9	`OC1=CC2=CC=CC=C2N=C1C(NC(C(NCC(N(C)C(CS)C(O)=O)=O)=O)CS)=O`	—
11	`445-11`	tioS	M4	445-10;N-Me-L-Cysteine from: 445-10	`OC1=CC2=CC=CC=C2N=C1C(NC(C(NCC(N(C)C(CS)C(N(C)C(CS)C(O)=O)=O)=O)=O)CS)=O`	—
12	`445-12`	tioS	TE	445-11;445-11 from: 445-11, 445-11	`O=C(NC(CSC(C(CSC)N(C(C(N(C)C(CNC1=O)=O)CS)=O)C)=O)C(NCC(N(C)C(C(N(C(C(SCC1NC(C2=C(C=C(C=CC=C3)C3=N2)O)=O)=O)CSC)C)=O)CS)=O)=O)C4=NC5=CC=CC=C5C=C4O`	—
13	`445`	?	—	445-12 from: 445-12	`O=C(NC(CSC(C(CSC)N(C(C(N(C)C(CNC1=O)=O)CSSCC(C(N(C(C(SCC1NC(C2=C(C=C(C=CC=C3)C3=N2)O)=O)=O)CSC)C)=O)N4C)=O)C)=O)C(NCC4=O)=O)C5=NC6=CC=CC=C6C=C5O`	—

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