NPdia

BGC0001021Hybrid

Mycobactin

Producing organism: Mycobacterium tuberculosis H37Rv
Taxonomy: Bacteria›Actinomycetota›Actinomycetes›Mycobacteriales›Mycobacteriaceae›Mycobacterium›Mycobacterium tuberculosis complex
Biosynthetic class: NRPS (Type I);PKS (Unknown)
Total steps: 15
DOI: 10.1039/D3MD00201B 10.1128/JB.00088-12
MIBiG entry: View on MIBiG ↗

Loading…

mycobactin

C₄₆H₇₆FeN₅O₁₀+914.49 Da

Biosynthetic (core)

Biosynthetic (additional)

Domains

Ketosynthase (KS)

Acyltransferase (AT)

Ketoreductase (KR)

Acyl carrier protein (ACP)

Condensation (C)

Adenylation (A)

Peptidyl carrier (PCP)

Acyl carrier (ACP)

Thioesterase (TE)

Epimerization (E)

Heterocyclization (Cy)

15 steps · 16 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	`1021-1`	Start	—		`O=C([C@H](CCCC[NH3+])N)[O-]`	—
2	`1021-2`	mbtG	—	1021-1 from: 1021-1	`O=C([C@H](CCCCNO)N)[O-]`	—
3	`1021-3`	Start	—		`O=C([O-])/C=C/[R]`	—
4	`1021-4`	?	—	1021-3 from: 1021-3	`O=C(O)CC[R]`	—
5	`1021-5`	?	—	1021-4 from: 1021-4	`O=C(O)/C=C/[R]`	—
6	`1021-6`	?	—	1021-2;1021-5 from: 1021-2, 1021-5	`ON(CCCC[C@H](N)C([O-])=O)C(/C=C/[R])=O`	—
7	`1021-7`	Start	—	Chorismate	`OC(C1=C[C@@H](OC(C(O)=O)=C)[C@H](O)C=C1)=O`	—
8	`1021-8`	mbtI	—	1021-7 from: 1021-7	`OC1=C(C(O)=O)C=CC=C1`	—
9	`1021-9`	mbtA	—	1021-8 from: 1021-8	`OC1=C(C(O)=O)C=CC=C1`	—
10	`1021-10`	mbtB	—	1021-9;Serine from: 1021-9	`OC1=C(C2=NC(C(O)=O)CO2)C=CC=C1`	—
11	`1021-11`	mbtE	—	1021-6;1021-10 from: 1021-6, 1021-10	`OC1=C(C2=NC(C(NC(CCCN[R])C(O)=O)=O)CO2)C=CC=C1`	—
12	`1021-12`	mbtC;mbtD	—	1021-11;Malonyl-CoA;Acetyl-CoA from: 1021-11	`OC1=C(C2=NC(C(NC(CCCN[R])C(OC(CC(O)=O)C)=O)=O)CO2)C=CC=C1`	—
13	`1021-13`	mbtF	—	1021-2;1021-12 from: 1021-2, 1021-12	`OC1=C(C2=NC(C(NC(CCCN[R])C(OC(CC(N[C@H](CCCCN[R])C(O)=O)=O)C)=O)=O)CO2)C=CC=C1`	—
14	`1021-14`	?	—	1021-6;1021-13 from: 1021-6, 1021-13	`OC1=C(C2=N[C@H](C(NC(C(OC(CC(N[C@H]3CCCCN(O)C3=O)=O)C)=O)CCCCN(C(/C=C/[R])=O)O)=O)CO2)C=CC=C1`	—
15	`1021`	mbtG	—	1021-14 from: 1021-14	`OC1=C(C2=N[C@H](C(NC(C(OC(CC(N[C@H]3CCCCN(O)C3=O)=O)C)=O)CCCCN(C(CCCCCCCCCCCCCCCCCCC)=O)O)=O)CO2)C=CC=C1`	—

Click any row to view the chemical structure · Click a module badge (M1, TE…) to view domain architecture