Crystal structures of apo-DszC and FMN-bound DszC from Rhodococcus erythropolis D-1.

ABSTRACT

UNLABELLED The release of SO2 from petroleum products derived from crude oil, which contains sulfur compounds such as dibenzothiophene (DBT), leads to air pollution. The '4S' metabolic pathway catalyzes the sequential conversion of DBT to 2-hydroxybiphenyl via three enzymes encoded by the dsz operon in several bacterial species. DszC (DBT monooxygenase), from Rhodococcus erythropolis D-1 is involved in the first two steps of the '4S' pathway. Here, we determined the first crystal structure of FMN-bound DszC, and found that two distinct conformations occur in the loop region (residues 131-142) adjacent to the active site. On the basis of the DszC-FMN structure and the previously reported apo structures of DszC homologs, the binding site for DBT and DBT sulfoxide is proposed. DATABASE The atomic coordinates and structure factors for apo-DszC (PDB code 3X0X) and DszC-FMN (PDB code 3X0Y) have been deposited in the Protein Data Bank (http//www.rcsb.org).