Catalytic mechanism of phenylacetone monooxygenases for non-native linear substrates
文献情報
Miguel de Abreu, Lyndsey J. Ferguson, Derek J. Quinn, Thomas S. Moody, Meilan Huang
Phenylacetone monooxygenase (PAMO) is the most stable and thermo-tolerant member of the Baeyer窶天illiger monooxygenase family, and therefore it is an ideal candidate for the synthesis of industrially relevant compounds. However, its limited substrate scope has largely limited its industrial applications. In the present work, we provide, for the first time, the catalytic mechanism of PAMO for the native substrate phenylacetone as well as for a linear non-native substrate 2-octanone, using molecular dynamics simulations, quantum mechanics and quantum mechanics/molecular mechanics calculations. We provide a theoretical basis for the preference of the enzyme for the native aromatic substrate over non-native linear substrates. Our study provides fundamental atomic-level insights that can be employed in the rational engineering of PAMO for wide applications in industrial biocatalysis, in particular, in the biotransformation of long-chain aliphatic oils into potential biodiesels.
おすすめジャーナル

Russian Chemical Bulletin

Acta Materialia

Crystallography Reports

Chemistry Education Research and Practice

Russian Journal of Applied Chemistry

Chemical Communications

Current Opinion in Colloid & Interface Science

Journal of Peptide Science

Russian Journal of Bioorganic Chemistry

Journal of Natural Medicines
関連文献
One-step formulation of nonionic surfactant bicelles (NSBs) by a double-tailed polyglycerol-type nonionic surfactant
Kenji Aramaki, Chikahiro Iwata, Jitendra Mata, Tetsuya Maehara, Daisuke Aburano, Yuichi Sakanishi, Kyuhei Kitao
DOI: 10.1039/C7CP02585H
A systematic study of the influence of mesoscale structuring on the kinetics of a chemical reaction
Sebastian Krickl, Thomas Buchecker, Andreas Uwe Meyer, Isabelle Grillo, Didier Touraud, Pierre Bauduin, Burkhard König, Arno Pfitzner, Werner Kunz
DOI: 10.1039/C7CP02134H
Self-assembly of diphenylalanine with preclick components as capping groups
Andrea Gemma, Gema Ballano, Juan Torras, Ana I. Jiménez, Carlos Cativiela
DOI: 10.1039/C7CP03792A
The electronic structure of Ag1−xSn1+xSe2 (x = 0.0, 0.1, 0.2, 0.25 and 1.0)
Takanori Wakita, Eugenio Paris, Kaya Kobayashi, Kensei Terashima, Teppei Ueno, Federica Bondino, Luca Olivi, Jun Akimitsu, Yuji Muraoka, Takayoshi Yokoya, Naurang L. Saini
DOI: 10.1039/C7CP05369J
Unravelling hydrogen bonding interactions of tryptamine–water dimer from neutral to cation
Zongyuan Liu, Carl O. Trindle, Quanli Gu, Wei Wu, Peifeng Su
DOI: 10.1039/C7CP03491A
Unveiling universal trends for the energy level alignment in organic/oxide interfaces
José I. Martínez, Fernando Flores, José Ortega, Sylvie Rangan, Charles M. Ruggieri, Robert A. Bartynski
DOI: 10.1039/C7CP03853D
Double salt ionic liquids based on 1-ethyl-3-methylimidazolium acetate and hydroxyl-functionalized ammonium acetates: strong effects of weak interactions
Patrick S. Barber, Paula Berton
DOI: 10.1039/C7CP05710E
The magnetic and adsorption properties of ZnO1−xSx nanoparticles
Huiyun Zhang, Guixian Liu, Yanqiang Cao, Jing Chen, Kai Shen, Ashwini Kumar, Mingxiang Xu, Qi Li
DOI: 10.1039/C7CP03470A
Molecular dynamics investigations of an indicator displacement assay mechanism in a liquid crystal sensor
Qingyu Liu, Fang Zuo, Zhigang Zhao, Junxian Chen, Dingguo Xu
DOI: 10.1039/C7CP02292A
こちらもおすすめ
間溴苯甲酰腈の市場動向や研究トレンドはどうですか?
間 brom 苯甲酰腈は、合成化学や薬物化学において重要な Intermediate として使用されています。市場動向としては、その合成性と機能性により、研究開...
Methyl 2-amino-5-(trifluoromethyl)benzoateに適用される法規ガイドラインは何ですか?
CAS番号117324-58-0の塩酸メチル2アミノ-5-トリフルオロメチルベンゼートは、GHS分類により腐食性物質と判定されます。REACH規則では、製造、販...
3-ブロモ-1,3,4,5-四水化-2H-1-ベンザアゼピン-2-オンは安全ですか?
毒性があるため、適切な安全対策が必須です。皮膚や粘膜への刺激性が強く、吸入や誤飲により健康被害を引き起こす可能性があります。取扱時にはガスマスクや手袋、眼鏡を使...
三氟甲基ピリジン-2-甲アミン塩酸塩は安全ですか?
三氟甲基ピリジン-2-甲アミン塩酸塩は安全性に注意が必要です。毒性は低レベルですが、直接的接触や吸入は避けるべきです。適切な手袋や防塵マスクを着用し、密閉された...
1-エチル-4-(4-硝基フェニル)ピペリジンは安全ですか?
1-エチル-4-(4-硝基フェニル)ピペリジンは有毒であり、取扱には注意が必要です。保管や作業中に手袋を着用し、目や皮膚に接触しないように注意する必要があります...
1,1-ジメトキシプロパン-2-オンは安全ですか?
1,1-ジメトキシプロパン-2-オンは一般的に低毒性ですが、皮膚や目への刺激性があるため、取扱いには注意が必要です。蒸気や液体の吸入には有害な可能性があり、適切...
コバルト(II) 3,3'-{[(1S,2S)-1,2-ジメチルフENCYCLICALE-1,2-エチエンジイル]ビス[ニトロリルメチルイリデン]}ビス[4-オキソ-2-ペンテン-2-olate]について「に適用される法規ガイドラインは何ですか?
この化合物はCAS番号259259-80-8に対応しています。GHS分類では、毒性、燃焼性、反応性、炎症性を考慮に入れ、適切な危険性分類が行われます。REACH...
「カーバミル酸, N-[8-[[2-[[2-(2,6-ジオキソ-3-ピペリジニル)-2,3-ジオキソ-1,3-ジヒドロ-1H-イソイソインドール-4-イルオキシ]アセチル]アミノ]オクチル]-1,1-ジメチレチルエステル」はどのように保存すればよいですか?
この化合物は、冷却庫で-20℃の温度、乾燥した容器に保管し、直日光から保護する必要があります。湿度の高い環境や高温は避けてください。
掲載誌
Physical Chemistry Chemical Physics

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.

![trans,trans-4-n-Propyl-4-[4-(trifluoromethoxy)phenyl]bicyclohexyl structure trans,trans-4-n-Propyl-4-[4-(trifluoromethoxy)phenyl]bicyclohexyl structure](https://static.chemtradehub.com/structs/133/133937-72-1-25ef.webp)

![(1R,3S,5R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[3.1.0]hexane-3-carboxylic acid structure (1R,3S,5R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[3.1.0]hexane-3-carboxylic acid structure](https://static.chemtradehub.com/structs/197/197142-34-0-6a44.webp)
