title: Rice Cellulose SynthaseA8 Plant-Conserved Region Is a Coiled-Coil at the Catalytic Core Entrance.
abstract: The crystallographic structure of a rice (Oryza sativa) cellulose synthase, OsCesA8, plant-conserved region (P-CR), one of two unique domains in the catalytic domain of plant CesAs, was solved to 2.4 Å resolution. Two antiparallel α-helices form a coiled-coil domain linked by a large extended connector loop containing a conserved trio of aromatic residues. The P-CR structure was fit into a molecular envelope for the P-CR domain derived from small-angle X-ray scattering data. The P-CR structure and molecular envelope, combined with a homology-based chain trace of the CesA8 catalytic core, were modeled into a previously determined CesA8 small-angle X-ray scattering molecular envelope to produce a detailed topological model of the CesA8 catalytic domain. The predicted position for the P-CR domain from the molecular docking models places the P-CR connector loop into a hydrophobic pocket of the catalytic core, with the coiled-coil aligned near the entrance of the substrate UDP-glucose into the active site. In this configuration, the P-CR coiled-coil alone is unlikely to regulate substrate access to the active site, but it could interact with other domains of CesA, accessory proteins, or other CesA catalytic domains to control substrate delivery.
authors.affiliation: Department of Biological Sciences (P.S.R., C.N.S., N.C.C., C.V.S.), Department of Botany and Plant Pathology (A.T.O., N.C.C.), Bindley Bioscience Center (N.C.C., C.V.S.), and Purdue Center for Cancer Research (C.V.S.), Purdue University, West Lafayette, Indiana 47907.|Departments of Bioengineering and Chemistry and Chemical Biology, Northeastern University, Boston, Massachusetts 02115 (L.M.); and.|DeltaG Technologies, San Diego, California 92122 (J.B.).
authors.forename: Phillip S
authors.initials: PS
authors.lastname: Rushton
authors.affiliation: Department of Biological Sciences (P.S.R., C.N.S., N.C.C., C.V.S.), Department of Botany and Plant Pathology (A.T.O., N.C.C.), Bindley Bioscience Center (N.C.C., C.V.S.), and Purdue Center for Cancer Research (C.V.S.), Purdue University, West Lafayette, Indiana 47907.|Departments of Bioengineering and Chemistry and Chemical Biology, Northeastern University, Boston, Massachusetts 02115 (L.M.); and.|DeltaG Technologies, San Diego, California 92122 (J.B.).
authors.forename: Anna T
authors.initials: AT
authors.lastname: Olek
authors.affiliation: Department of Biological Sciences (P.S.R., C.N.S., N.C.C., C.V.S.), Department of Botany and Plant Pathology (A.T.O., N.C.C.), Bindley Bioscience Center (N.C.C., C.V.S.), and Purdue Center for Cancer Research (C.V.S.), Purdue University, West Lafayette, Indiana 47907.|Departments of Bioengineering and Chemistry and Chemical Biology, Northeastern University, Boston, Massachusetts 02115 (L.M.); and.|DeltaG Technologies, San Diego, California 92122 (J.B.).
authors.forename: Lee
authors.initials: L
authors.lastname: Makowski
authors.affiliation: Department of Biological Sciences (P.S.R., C.N.S., N.C.C., C.V.S.), Department of Botany and Plant Pathology (A.T.O., N.C.C.), Bindley Bioscience Center (N.C.C., C.V.S.), and Purdue Center for Cancer Research (C.V.S.), Purdue University, West Lafayette, Indiana 47907.|Departments of Bioengineering and Chemistry and Chemical Biology, Northeastern University, Boston, Massachusetts 02115 (L.M.); and.|DeltaG Technologies, San Diego, California 92122 (J.B.).
authors.forename: John
authors.initials: J
authors.lastname: Badger
authors.affiliation: Department of Biological Sciences (P.S.R., C.N.S., N.C.C., C.V.S.), Department of Botany and Plant Pathology (A.T.O., N.C.C.), Bindley Bioscience Center (N.C.C., C.V.S.), and Purdue Center for Cancer Research (C.V.S.), Purdue University, West Lafayette, Indiana 47907.|Departments of Bioengineering and Chemistry and Chemical Biology, Northeastern University, Boston, Massachusetts 02115 (L.M.); and.|DeltaG Technologies, San Diego, California 92122 (J.B.).
authors.forename: C Nicklaus
authors.identifier: 0000-0002-0482-3165
authors.initials: CN
authors.lastname: Steussy
authors.affiliation: Department of Biological Sciences (P.S.R., C.N.S., N.C.C., C.V.S.), Department of Botany and Plant Pathology (A.T.O., N.C.C.), Bindley Bioscience Center (N.C.C., C.V.S.), and Purdue Center for Cancer Research (C.V.S.), Purdue University, West Lafayette, Indiana 47907.|Departments of Bioengineering and Chemistry and Chemical Biology, Northeastern University, Boston, Massachusetts 02115 (L.M.); and.|DeltaG Technologies, San Diego, California 92122 (J.B.).
authors.forename: Nicholas C
authors.identifier: 0000-0003-0770-314X
authors.initials: NC
authors.lastname: Carpita
authors.affiliation: Department of Biological Sciences (P.S.R., C.N.S., N.C.C., C.V.S.), Department of Botany and Plant Pathology (A.T.O., N.C.C.), Bindley Bioscience Center (N.C.C., C.V.S.), and Purdue Center for Cancer Research (C.V.S.), Purdue University, West Lafayette, Indiana 47907; cstauffa@purdue.edu.|Departments of Bioengineering and Chemistry and Chemical Biology, Northeastern University, Boston, Massachusetts 02115 (L.M.); and cstauffa@purdue.edu.|DeltaG Technologies, San Diego, California 92122 (J.B.) cstauffa@purdue.edu.
authors.forename: Cynthia V
authors.identifier: 0000-0002-3081-6903
authors.initials: CV
authors.lastname: Stauffacher
mesh_terms: D020134:Catalytic Domain; D018360:Crystallography, X-Ray; D005964:Glucosyltransferases / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism; D008958:Models, Molecular; D062105:Molecular Docking Simulation; D012275:Oryza / Q000737:chemistry*; D010940:Plant Proteins / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism; D011487:Protein Conformation; D053838:Scattering, Small Angle; D014961:X-Ray Diffraction
chemical_list: D010940:Plant Proteins; D005964:Glucosyltransferases; C478648:cellulose synthase