Computational analysis of electron/proton transfer in membrane protein complexes

• Project/Area Number: 21770163
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Single-year Grants
• Research Field: Biophysics
• Research Institution: Kyoto University
• Principal Investigator: ISHIKITA Hiroshi Kyoto University, 生命科学系キャリアパス形成ユニット, 特定助教 (00508111)
• Project Period (FY): 2009 – 2010
• Project Status: Completed (Fiscal Year 2010)
• Budget Amount: ¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000); Fiscal Year 2010: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000); Fiscal Year 2009: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
• Keywords: 光生物 / 蛋白質 / 酵素反応 / 電子移動反応 / 生体生命情報学 / 生物物理

Research Abstract

Electron/proton transfer reactions in membrane-protein complexes or enzymes were analyzed using computational approaches and protein crystal structures. As a result, contributions of the protein environments to (i) protonation/deprotonation reactions in the proton binding sites or (ii) redox potentials of the redox active sites were revealed in the present study.

Research Products

• [Journal Article] Proton-binding sites of acid-sensing ion channel 1 (2011)
  • Author(s): Hiroshi Ishikita
  • Journal Title: PLoS One 6
  • NAID: 120005241354
  • Peer Reviewed
• [Journal Article] Rubredoxin function : redox behavior from electrostatics (2011)
  • Author(s): Ana Patricia Gamiz-Hernandez, Gernot Kieseritzky, Hiroshi Ishikita Ernst-Walter Knapp
  • Journal Title: J.Chem.Theory Comput. 7 Pages: 742-752
  • Peer Reviewed
• [Journal Article] Proton-binding sites of acid-sensing ion channel 1 (2011)
  • Author(s): Hiroshi Ishikita
  • Journal Title: PLoS One Volume: 6
  • NAID: 120005241354
  • Peer Reviewed
• [Journal Article] Rubredoxin function : redox behavior from electrostatics (2011)
  • Author(s): Ana Patricia Gamiz-Hernandez, Gernot Kieseritzky, Hiroshi Ishikita, Ernst-Walter Knapp
  • Journal Title: J.Chem.Theory Comput. Volume: 7 Pages: 742-752
  • Peer Reviewed
• [Journal Article] Origin of the pKa shift of the catalytic lysine in acetoacetate decarboxylase (2010)
  • Author(s): Hiroshi Ishikita
  • Journal Title: FEBS Lett 584 Pages: 3464-3468
  • NAID: 120005241434
  • Peer Reviewed
• [Journal Article] 生物物理学会会誌総説「光合成蛋白質における酸化還元電位制御の理論解析 (2010)
  • Author(s): 石北央
  • Journal Title: 生物物理 209
• [Journal Article] Origin of the pKa shift of the catalytic lysine in acetoacetate decarboxy lase (2010)
  • Author(s): Hiroshi Ishikita
  • Journal Title: FEBS Lett. Volume: 584 Pages: 3464-3468
  • Peer Reviewed
• [Journal Article] 総説「光合成蛋白質における酸化還元電位制御の理論解析」 (2010)
  • Author(s): Hiroshi Ishikita
  • Journal Title: 生物物理 Volume: 50 Pages: 286-289
  • Peer Reviewed
• [Journal Article] Oxidation power of the chlorophyll pair P680 in Photosystem II (2009)
  • Author(s): Hiroshi Ishikita, E.-W.Knapp
  • Journal Title: J.Biol.Inorg.Chem.(Supplement 1,173) 14
  • Peer Reviewed
• [Journal Article] How does the Q_B site influence propagate to the Q_A site in Photosystem II?
  • Author(s): Hiroshi Ishikita, Koji Hasegawa, Takumi Noguchi
  • Journal Title: Biochemistry (in press)
  • Peer Reviewed
• [Presentation] さきがけ研究領域合同シンポジウム「人類の危機に挑む研究開発:光と太陽エネルギー」 (2011)
  • Organizer: JST
  • Place of Presentation: 神奈川大学、神奈川
  • Year and Date: 2011-03-28
• [Presentation] 光合成反応中心蛋白質の電子移動 (2011)
  • Author(s): 石北央
  • Organizer: 日本科学会第91春季年会JSTさきがけ研究領域合同シンポジウム「人類の危機に挑む研究開発:光と太陽エネルギー」
  • Place of Presentation: 神奈川大学(横浜)
  • Year and Date: 2011-03-11
• [Presentation] 光合成反応中心タンパク質における酸化還元電位の理論解析 (2011)
  • Author(s): 石北央
  • Organizer: 分子科学研究所オープンセミナー
  • Place of Presentation: 分子科学研究所、愛知
  • Year and Date: 2011-01-20
• [Presentation] 光合成反応中心タンパク質における酸化還元電位の理論解析 (2011)
  • Author(s): 石北央
  • Organizer: 分子科学研究所オープンセミナー
  • Place of Presentation: 分子科学研究所(愛知)(招待講演)
  • Year and Date: 2011-01-20
• [Presentation] 水分子酸化を可能とする光合成系II内の電子移動 (2011)
  • Author(s): 石北央
  • Organizer: 日本物理学会第66回年次大会
  • Place of Presentation: 新潟大学、新潟
• [Presentation] 水分子酸化を可能とする光合成反応中心蛋白質の電子移動 (2011)
  • Author(s): 石北央
  • Organizer: 大阪大学蛋白質研究所セミナー「分子科学と生理学が解き明かす植物の光エネルギー変換の新展開」
  • Place of Presentation: 大阪大学蛋白質研究所
• [Presentation] Oxidation power of the chlorophyll pair P680 in Photosystem II (2011)
  • Author(s): Hiroshi Ishikita
  • Organizer: 日本-フィンランド2国間セミナー「Future prospects of photosynthetic organisms : from genomes to environment」
  • Place of Presentation: 岡山ロイヤルホテル、岡山
• [Presentation] Oxidation power of the chlorophyll pair P680 in Photosystem II (2011)
  • Author(s): 石北央
  • Organizer: 日本-フィンランド2国間セミナー「Future prospects of photosynthetic organisms : from genomes to environment」
  • Place of Presentation: 岡山ロイヤルホテル(岡山)(招待講演)
• [Presentation] 水分子酸化を可能とする光合成反応中心蛋白質の電子移動 (2011)
  • Author(s): 石北央
  • Organizer: 大阪大学蛋白質研究所セミナー「分子科学と生理学が解き明かす植物の光エネルギー変換の新展開」
  • Place of Presentation: 大阪大学蛋白質研究所(大阪)(招待講演)
• [Presentation] 水分子酸化を可能とする光合成系II内の電子移動 (2011)
  • Author(s): 石北央
  • Organizer: 日本物理学会 第66回年次大会
  • Place of Presentation: 新潟大学(新潟)(招待講演)
• [Presentation] Hydrogen bonding pattern controls the electron transfer energetics between quinones in photosynthetic reaction centers (2010)
  • Author(s): 石北央
  • Organizer: 第48回日本生物物理学会年会
  • Place of Presentation: 東北大学(仙台)
  • Year and Date: 2010-09-20
• [Presentation] Analyzing protein bioenergetics using 3D structural information (2010)
  • Author(s): Hiroshi Ishikita
  • Organizer: CBI学会2010年大会
  • Place of Presentation: 一橋記念講堂、東京(口頭発表)
  • Year and Date: 2010-09-15
• [Presentation] Analyzing protein bioenergetics using 3D structural informati (2010)
  • Author(s): 石北央
  • Organizer: CBI学会2010年大会(Chem-Bio Informatics Society)
  • Place of Presentation: 学術総合センター(東京)
  • Year and Date: 2010-09-15
• [Presentation] Influence of the protein environment on the P680 redox potentials in Photosystem II (2010)
  • Author(s): H.Ishikita, E.-W.Knapp
  • Organizer: the 15th International Congress of Photosynthesis
  • Place of Presentation: 北京(中国)
  • Year and Date: 2010-08-24
• [Presentation] Computational analysis of light-induced electron transfer reaction in proteins (2010)
  • Author(s): H.Ishikita
  • Organizer: 国際シンポジウム「光エネルギーと物質変換:人工光合成の未来」
  • Place of Presentation: 近畿大学(大阪府)
  • Year and Date: 2010-03-28
• [Presentation] Oxidation Power of the Chlorophyll Pair P680 in Photosystem II (2010)
  • Author(s): Hiroshi Ishikita
  • Organizer: 第70回分子科学国際研究会
  • Place of Presentation: 分子科学研究所、愛知
• [Presentation] Frontiers in the Simulations of Macromolecules, Symposium in Honor of Arieh Warshel (2010)
  • Place of Presentation: Los Angeles、USA
• [Presentation] (2010)
  • Organizer: 15th International Congress on Photosynthesis
  • Place of Presentation: 北京、中国
• [Presentation] Electron transfer in photosynthetic reaction centers (2010)
  • Author(s): Hiroshi Ishikita
  • Organizer: Frontiers in the Simulations of Macromolecules, Symposium in Honor of Arieh Warshel
  • Place of Presentation: Los Angeles(USA)
• [Presentation] Oxidation Power of the Chlorophyll Pair P680 in Photosystem II (2010)
  • Author(s): 石北央
  • Organizer: 第70回分子科学国際研究会
  • Place of Presentation: 分子科学研究所(愛知)(招待講演)
• [Presentation] Photosystem IIの蛋白質環境がどのようにしてクロロフィルペアP680の強力な酸化力を引き出しているか (2009)
  • Author(s): 石北央
  • Organizer: 第47回日本生物物理学会年会
  • Place of Presentation: アスティとくしま(徳島県)
  • Year and Date: 2009-11-01
• [Presentation] 青色光受容体蛋白質AppA BLUFにおける水素結合パターン変化による電子移動制御 (2009)
  • Author(s): 石北央
  • Organizer: 第82回日本生化学会大会
  • Place of Presentation: 神戸国際会議場(兵庫県)
  • Year and Date: 2009-10-22
• [Presentation] Hydrogen bonding pattern controls the electron transfer energetics between quinones in photosynthetic reaction centers
  • Author(s): Hiroshi Ishikita
  • Organizer: 第48回日本生物物理学会年会
  • Place of Presentation: 東北大学、仙台(口頭発表)
• [Remarks] ホームページ等
  • URL: http://www.cp.kyoto-u.ac.jp/Ishikita/index.htm
• [Remarks]
  • URL: http://www.cp.kyoto-u.ac.jp/Ishikita/index.htm
• [Remarks]
  • URL: http://www.cp.kyoto-u.ac.jp/Ishikita/index.htm