Theoretical study on the ATP hydrolysis mechanism of HisP protein, the ATP-binding subunit of ABC transporter

Qiang Pei, Carlos A. Del Carpio, Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, Momoji Kubo, Ewa Broclawik, Kazumi Nishijima, Tetsuya Terasaki, Akira Miyamoto

研究成果: ジャーナルへの寄稿記事

1 引用 (Scopus)

抄録

ATP binding subunit is known as a subunit of ABC transporter, providing energy through the binding of ATP with the subunit and the subsequent hydrolysis reaction of the bound ATP. In this study, density functional theory (DFT) method was used to study the ATP hydrolysis reaction in HisP protein, an ATP binding subunit of Histidine permease HisQMP2, by considering the ATP binding site, especially the γ-phosphate group, surrounding residues and water molecules. Based on DFT calculations, we proposed that ATP hydrolysis is initiated by the formation of Mg2+ mediated coordinate complex followed by the nucleophilic attack of a single water molecule (Water437) on the γ-phosphate; the hydrolysis product ADP acts as a leaving group. The transition state structure was determined by an approximate saddle-point search.

元の言語英語
ページ(範囲)735-739
ページ数5
ジャーナルMaterials Transactions
48
発行部数4
DOI
出版物ステータス出版済み - 4 1 2007

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transporter
ATP-Binding Cassette Transporters
adenosine triphosphate
Adenosinetriphosphate
hydrolysis
Hydrolysis
Adenosine Triphosphate
proteins
Proteins
Density functional theory
phosphates
Phosphates
density functional theory
Administrative data processing
adenosine diphosphate
Molecules
Water
histidine
Binding sites
saddle points

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

これを引用

Pei, Q., Del Carpio, C. A., Tsuboi, H., Koyama, M., Endou, A., Kubo, M., ... Miyamoto, A. (2007). Theoretical study on the ATP hydrolysis mechanism of HisP protein, the ATP-binding subunit of ABC transporter. Materials Transactions, 48(4), 735-739. https://doi.org/10.2320/matertrans.48.735

Theoretical study on the ATP hydrolysis mechanism of HisP protein, the ATP-binding subunit of ABC transporter. / Pei, Qiang; Del Carpio, Carlos A.; Tsuboi, Hideyuki; Koyama, Michihisa; Endou, Akira; Kubo, Momoji; Broclawik, Ewa; Nishijima, Kazumi; Terasaki, Tetsuya; Miyamoto, Akira.

:: Materials Transactions, 巻 48, 番号 4, 01.04.2007, p. 735-739.

研究成果: ジャーナルへの寄稿記事

Pei, Q, Del Carpio, CA, Tsuboi, H, Koyama, M, Endou, A, Kubo, M, Broclawik, E, Nishijima, K, Terasaki, T & Miyamoto, A 2007, 'Theoretical study on the ATP hydrolysis mechanism of HisP protein, the ATP-binding subunit of ABC transporter', Materials Transactions, 巻. 48, 番号 4, pp. 735-739. https://doi.org/10.2320/matertrans.48.735
Pei, Qiang ; Del Carpio, Carlos A. ; Tsuboi, Hideyuki ; Koyama, Michihisa ; Endou, Akira ; Kubo, Momoji ; Broclawik, Ewa ; Nishijima, Kazumi ; Terasaki, Tetsuya ; Miyamoto, Akira. / Theoretical study on the ATP hydrolysis mechanism of HisP protein, the ATP-binding subunit of ABC transporter. :: Materials Transactions. 2007 ; 巻 48, 番号 4. pp. 735-739.
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