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Homology Modeling and Docking Study of an Alginate Lyase, alyVI

초록

영어

alyVI is a gene which encodesan alginate lyase of marine bacterium Vibrio sp. QY101 (338aa). A nine-amino-acid consensus region (YXRESLREM), which was only found in poly-G lyases, was also observed in the amino-terminal region of alyVI. However, alyVI could degrade both M block and G block. A1-II’ is a close homolog with a reported structure (2CWS). A 3D structure of this enzyme was modeled based on this template by the comparative modeling technique. As in the template alginate, tyrosine seems critical for enzymatic activity. Since it shows enzymatic activity for poly-M alginate, docking a tri-mannuronate as well as a tri-guluronate into the
enzyme was performed. The ligand was nicely posed inside of the each binding site with a strikingly similar way. In accordance with previous report, OH-group of a tyrosine is close to -hydrogen, suitable to initiate -elimination reaction. By considering both ligands, it can be designed to change stereoselectivity of this enzyme to either M-specific or G-specific in
a rational way.

저자정보

  • Hoon Cho College of Engineering, Chosun University
  • Seung Joo Cho College of Medicine, Chosun University

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