"Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography

• 中村, 彰彦

• 石田, 卓也

• 日下, 勝弘

• 山田, 太郎

• 伏信, 進矢

• 田中, 一郎

• 金子, 哲

• 太田, 和敬

• 田仲, 広明

• 伊中, 浩治

• 樋口, 芳樹

• 新村, 信雄

• 鮫島, 正弘

• 五十嵐, 圭日子

• Nakamura, Akihiko

• Ishida, Takuya

• Kusaka, Katsuhiro

• Yamada, Taro

• Fushinobu, Shinya

• Tanaka, Ichiro

• Kaneko, Satoshi

• Ohta, Kazunori

• Tanaka, Hiroaki

• Inaka, Koji

• Higuchi, Yoshiki

• Niimura, Nobuo

• Samejima, Masahiro

• Igarashi, Kiyohiko

抄録

Hydrolysis of carbohydrates is a major bioreaction in nature, catalyzed by glycoside hydrolases (GHs). We used neutron diffraction and high-resolution x-ray diffraction analyses to investigate the hydrogen bond network in inverting cellulase PcCel45A, which is an endoglucanase belonging to subfamily C of GH family 45, isolated from the basidiomycete Phanerochaete chrysosporium. Examination of the enzyme and enzyme-ligand structures indicates a key role of multiple tautomerizations of asparagine residues and peptide bonds, which are finally connected to the other catalytic residue via typical side-chain hydrogen bonds, in forming the Newton’s cradle - like proton relay pathway of the catalytic cycle. Amide-imidic acid tautomerization of asparagine has not been taken into account in recent molecular dynamics simulations of not only cellulases but also general enzyme catalysis, and it may be necessary to reconsider our interpretation of many enzymatic reactions.

形態: カラー図版あり

Physical characteristics: Original contains color illustrations

資料番号: PA1610030000

収録刊行物

• Science Advances

  Science Advances 1 (7), 2015-08-21

  米国科学振興協会(AAAS)

キーワード

• Cellulase
• Carbohydrate Active enZymes
• Proton relay
• Neutron crystallography
• biomass
• Tautomerization
• Phanerochaete chrysosporium

詳細情報

• CRID: 1050848249890954880
• NII論文ID: 120006832408
• ISSN: 23752548
• Web Site: http://id.nii.ac.jp/1696/00022651/
• 本文言語コード: en
• 資料種別: journal article
• データソース種別:
  • IRDB
  • CiNii Articles