Correction: Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways (Chem. Sci. (2020) DOI: 10.1039/d0sc01651a)

Abstract

We recently reported the three-dimensional structures of seven lanthipeptides determined by NMR spectroscopy (Chem. Sci., DOI: 10.1039/d0sc01651a). After publication we became aware that the custom written definition of the non-proteinogenic bis-amino acid methyllanthionine (MeLan) for use by the software package Xplor does not sufficiently define the stereochemistry at C3. As a result, a subset of the seven structures contained a single MeLan with incorrect stereochemistry at C3. We rewrote the definition as shown in the updated ESI, redid all calculations using the original NMR data using the new definition, and manually inspected all 20 lowest energy structures to make sure they all had the correct stereochemistry of MeLan. All of the interactions observed in the original publication were still observed and none of the original conclusions were affected. We replaced the Protein Data Bank (PDB) files for prochlorosins 1.1 and 2.1 and cytolysin L using the same PDB identification numbers as in the original publicati on (PDB 6VHJ, 6VJQ, and 6VGT, respectively). For prochlorosins 2.10 and 2.11, we deposited the new structures with a new PDB ID (PDB 7JVF and 7JU9, respectively) and rendered the old pdb files obsolete. All BMRB codes remained the same except that BMRB 30789 is now associated with PDB 7JU9. Several of the figures in the original paper are affected in subtle ways and we provide new figures with this correction (Fig. 2–6, 12, and 13).