Molecular and active-site structure of a Bacillus 1,3-1,4-beta-glucanase

Proc Natl Acad Sci U S A. 1993 Jun 1;90(11):5287-91. doi: 10.1073/pnas.90.11.5287.

Abstract

The three-dimensional structure of the hybrid Bacillus 1,3-1,4-beta-glucanase (beta-glucanase; 1,3-1,4-beta-D-glucan 4-glucanohydrolase, lichenase, EC 3.2.1.73) designated H(A16-M) was determined by x-ray crystallography at a resolution of 2.0 A and refined to an R value of 16.4% using stereochemical restraints. The protein molecule consists mainly of two seven-stranded antiparallel beta-pleated sheets arranged atop each other to form a compact, sandwich-like structure. A channel crossing one side of the protein molecule accommodates an inhibitor, 3,4-epoxybutyl beta-D-cellobioside, which binds covalently to the side chain of Glu-105, as seen in a crystal structure analysis at 2.8-A resolution of the protein-inhibitor complex (R = 16.8%). That Glu-105 may be indispensible for enzyme catalysis by H(A16-M) is suggested by site-directed mutagenesis of this residue, which inevitably leads to an inactive enzyme.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Sequence
  • Bacillus / enzymology*
  • Binding Sites
  • Carbohydrate Sequence
  • Epoxy Compounds / metabolism
  • Epoxy Compounds / pharmacology
  • Glucans / metabolism
  • Glucosides / metabolism
  • Glucosides / pharmacology
  • Glutamates
  • Glutamic Acid
  • Glycoside Hydrolases / chemistry*
  • Glycoside Hydrolases / genetics
  • Glycoside Hydrolases / metabolism
  • Hydrogen Bonding
  • Models, Molecular
  • Molecular Sequence Data
  • Mutagenesis, Site-Directed
  • Protein Structure, Secondary*
  • Recombinant Proteins / chemistry
  • Recombinant Proteins / metabolism
  • Substrate Specificity
  • X-Ray Diffraction

Substances

  • Epoxy Compounds
  • Glucans
  • Glucosides
  • Glutamates
  • Recombinant Proteins
  • 3,4-epoxybutyl-beta-cellobioside
  • Glutamic Acid
  • Glycoside Hydrolases
  • licheninase