title: Crystal structures of apo-DszC and FMN-bound DszC from Rhodococcus erythropolis D-1.
abstract: 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.
  
  
  METHODS
  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).
authors: Department of Applied Biological Chemistry, Graduate School of Agricultural and Life Sciences, University of Tokyo, Bunkyo-ku, Tokyo, Japan.
authors: Li-Jun
authors: LJ
authors: Guan
authors: Department of Applied Biological Chemistry, Graduate School of Agricultural and Life Sciences, University of Tokyo, Bunkyo-ku, Tokyo, Japan.
authors: Woo Cheol
authors: WC
authors: Lee
authors: Department of Applied Biological Chemistry, Graduate School of Agricultural and Life Sciences, University of Tokyo, Bunkyo-ku, Tokyo, Japan.
authors: Shipeng
authors: S
authors: Wang
authors: Department of Biotechnology, Tottori University, Koyama-Minami, Tottori, Japan.
authors: Takashi
authors: T
authors: Ohshiro
authors: Department of Biotechnology, Tottori University, Koyama-Minami, Tottori, Japan.
authors: Yoshikazu
authors: Y
authors: Izumi
authors: Department of Applied Biological Chemistry, Graduate School of Agricultural and Life Sciences, University of Tokyo, Bunkyo-ku, Tokyo, Japan.
authors: Jun
authors: J
authors: Ohtsuka
authors: Department of Applied Biological Chemistry, Graduate School of Agricultural and Life Sciences, University of Tokyo, Bunkyo-ku, Tokyo, Japan.
authors: Masaru
authors: M
authors: Tanokura
mesh_terms: D000393:Air Pollutants / Q000378:metabolism; D001051:Apoenzymes / Q000737:chemistry / Q000235:genetics / Q000378:metabolism; D001426:Bacterial Proteins / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism; D001673:Biodegradation, Environmental; D020134:Catalytic Domain; D018360:Crystallography, X-Ray; D005486:Flavin Mononucleotide / Q000378:metabolism; D005798:Genes, Bacterial; D053858:Metabolic Networks and Pathways; D008958:Models, Molecular; D010088:Oxidoreductases / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism; D010578:Petroleum / Q000378:metabolism; D011487:Protein Conformation; D012240:Rhodococcus / Q000201:enzymology* / Q000235:genetics; D055672:Static Electricity; D013379:Substrate Specificity; D013458:Sulfur Dioxide / Q000378:metabolism; D013876:Thiophenes / Q000378:metabolism
chemical_list: D000393:Air Pollutants; D001051:Apoenzymes; D001426:Bacterial Proteins; D010578:Petroleum; D013876:Thiophenes; D013458:Sulfur Dioxide; D005486:Flavin Mononucleotide; D010088:Oxidoreductases; C090100:dibenzothiophene monooxygenase; C016366:dibenzothiophene
keywords: FMN-bound; biocatalysis; crystal structure; desulfurization; dibenzothiophene monooxygenase