Modeling and analysis of the structure of the thermostable catechol 2,3-dioxygenase from Bacillus Stearothermophilus

J Biomol Struct Dyn. 2001 Aug;19(1):75-83. doi: 10.1080/07391102.2001.10506721.

Abstract

The three-dimensional structure of thermostable catechol 2,3-dioxygenase(TC230) from Bacillus Stearothermophilus has been modeled basing on the known x-ray structure of catechol 2,3-dioxygenase(metapyrocatechase) from Pseudomonas putida mt-2, using computer graphics energy minimization techniques. The rationality of the resulting model was validated by Ramachandran plot and Profile-3D. The structure-functionally important residues, such as M++ binding residues and the substrate binding residues, were identified from the model. These residues are candidates for further site-directed mutagenesis experiments. The reason that the thermostability of TC230 is greater than metapyrocatechase(MPC) has been found, which may be due to the specific structure of the TC230 in the C-end mainly.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Sequence
  • Catalytic Domain
  • Catechol 2,3-Dioxygenase
  • Computer Simulation
  • Dioxygenases*
  • Enzyme Stability
  • Geobacillus stearothermophilus / enzymology*
  • Geobacillus stearothermophilus / genetics
  • Models, Molecular
  • Molecular Sequence Data
  • Oxygenases / chemistry*
  • Oxygenases / genetics
  • Protein Conformation
  • Protein Structure, Secondary
  • Sequence Homology, Amino Acid
  • Temperature
  • Thermodynamics

Substances

  • Oxygenases
  • Dioxygenases
  • Catechol 2,3-Dioxygenase