Detection of functional hydrogen-bonded water molecules with protonated/deprotonated key carboxyl side chains in the respiratory enzyme ba3-oxidoreductase

文献情報

出版日 2015-02-23

DOI 10.1039/C5CP00043B

インパクトファクター 3.676

著者

Antonis Nicolaides, Tewfik Soulimane, Constantinos Varotsis

原文を見る

要旨

The protonation/deprotonation of active carboxyl side chains by water networks forming the proton loading and exit sites in proteins are important steps in protein catalysis. An excellent system to study such basic principles is the heme–copper ba3 from T. thermophilus because it utilizes one proton input channel and it delivers protons to the active site for both O2 chemistry and proton pumping. We report the interaction of the heme a3 Fe propionate-A and the Asp372–His376 pair which forms the valve for the exit pathway for the protons with internal water molecules in ba3 oxidoreductase by light minus dark FTIR spectroscopy in conjunction with H2O/H218O/D2O exchange. The proton loading site consists of several water molecules including w941/w946 which are H-bonded to propionate-A–H+, acting as the Zundel cation. The detection of two H218O sensitive bands at 3640 and 3634 cm−1 shows the existence of weakly H-bonded water molecules.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Detection of functional hydrogen-bonded water molecules with protonated/deprotonated key carboxyl side chains in the respiratory enzyme ba3-oxidoreductase

文献情報

おすすめジャーナル

関連文献

Translational proton motion in zeolite H-ZSM-5. Energy barriers and jump rates from DFT calculations

Vibrational predissociation of ArHF: a test of global semiempirical potential energy surfaces

Calculation of aqueous dissociation constants of 1,2,4-triazole and tetrazole: A comparison of solvation models

Aqueous solutions of some amphiphilic poly(ethylene oxide)–poly(propylene oxide)–poly(ethylene oxide) triblock copolymers. A thermodynamic study over a wide concentration range at temperatures between 288.15 and 328.15 K

Analytical derivatives, π bonding and d–s mixing in the ligand field molecular mechanics method

A laser trapping-spectroscopy study on the photocyanation of perylene across a single micrometre-sized oil droplets/water interface: droplet-size effects on photoreaction quantum yield

Sulfur addition to microwave activated CH4/CO2 gas mixtures used for diamond CVD: growth studies and gas phase investigations

A random tunneling algorithm for the structural optimization problem

Prediction of the vapor–liquid phase equilibrium of hydrogen sulfide and the binary system water–hydrogen sulfide by molecular simulation

Second virial coefficients of fluorinated methanes CH4−xFx (x = 0–4) and their binary mixtures

こちらもおすすめ

噻奈普汀乙酯の物理化学的性質は何ですか？

アミピシリン不純物Fとは何ですか？

イリジウム(I)ヘキサフルオロフォスファートの代替品はありますか？

含有3-(苯氧基甲基)苯硼酸频那醇酯の廃棄物はどのように処理すべきですか？

2-甲基辛-1-醇を取り扱う際の実験室安全事項は何ですか？

高氯酸钪の代替品はありますか？

3α-アセトキノイドコレステロールエステルはどのように保存すればよいですか？

2-ぶンジロキシ-4-(トリフルオロメチル)フェノルビノン酸の主な用途は何ですか？

(2S,3R)-2-氨基-3-甲基丁二酸はどのように合成されますか？

1-Benzyl-2-phenyl-1H-imidazoleはどのように保存すればよいですか？

掲載誌

Physical Chemistry Chemical Physics

おすすめ化合物

4-(4-{4-[4-Fluoro-3-(trifluoromethyl)phenyl]-1-methyl-1H-imidazol-2-yl}-1-piperidinyl)-1H-pyrazolo[3,4-d]pyrimidine 4-methylbenzenesulfonate (1:1)

N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide

[3-Chloro-5-(diethylcarbamoyl)phenyl]boronic acid

Methyl 8-azabicyclo[3.2.1]octane-3-carboxylate hydrochloride

2-Methyl-5-(trifluoromethyl)pyridine

おすすめサプライヤー