Fig. 7: Putative BGCs of three secondary metabolite families identified by molDiscovery.
From: MolDiscovery: learning mass spectrometry fragmentation of small molecules
a dinghupeptin family in Streptomyces sp. NRRL B-5680, b lipopeptin and neopeptin family in S. hygroscopicus NRRL B-1477 and c longicatenamycin family in S. rimosus NRRL B-8076. MolDiscovery identified four dinghupeptin variants, two lipopeptin variants, neopeptin variants and two longicatenamycin variants at FDR 0%. After searching the corresponding genomes using antiSMASH, we detected NRP BGC with adenylation domains which show high specificity to the amino acids residues of these families. We also used DFAST (Supplementary Table 6–8) and HMMsearch to annotate the genes in the gene cluster. The post-modifications and the corresponding putative tailoring enzymes are color coded. In the putative BGC of longicatenamycin family, it is known that hydroxylation (red) can be induced by the Taurine catabolism dioxygenase57, and flavin reductase can involve in FAD-dependent hydroxylation58. 2-isopropylmalate synthase (blue) can function on the isopropyl group and elongate the chain (EC 2.3.3.13).
