Barrier compression enhances an enzymatic hydrogen-transfer reaction

Sam Hay; Christopher R. Pudney; Tom A. McGrory; Jiayun Pang; Michael J. Sutcliffe; Nigel S. Scrutton

doi:10.1002/anie.200805502

Barrier compression enhances an enzymatic hydrogen-transfer reaction

Sam Hay, Christopher R. Pudney, Tom A. McGrory, Jiayun Pang, Michael J. Sutcliffe, Nigel S. Scrutton

Research output: Contribution to journal › Article › peer-review

Abstract

Putting the squeeze on: Hydrostatic pressure causes a shortening of the charge-transfer bond in the binary complex of morphinone reductase and NADH 4 (see diagram). Molecular dynamics simulations suggest that pressure reduces the average reaction barrier width by restricting the conformational space available to the flavin mononucleotide and NADH within the active site. The apparent rate of catalysis increases with pressure. © 2009 Wiley-VCH Verlag GmbH amp; Co. KGaA.

Original language	English
Pages (from-to)	1452-1454
Number of pages	2
Journal	Angewandte Chemie - International Edition
Volume	48
Issue number	8
DOIs	https://doi.org/10.1002/anie.200805502
Publication status	Published - 9 Feb 2009

Keywords

Enzyme catalysis
Hydrogen transfer
Molecular dynamics
Quantum chemistry
Reaction barrier

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title = "Barrier compression enhances an enzymatic hydrogen-transfer reaction",

abstract = "Putting the squeeze on: Hydrostatic pressure causes a shortening of the charge-transfer bond in the binary complex of morphinone reductase and NADH 4 (see diagram). Molecular dynamics simulations suggest that pressure reduces the average reaction barrier width by restricting the conformational space available to the flavin mononucleotide and NADH within the active site. The apparent rate of catalysis increases with pressure. {\textcopyright} 2009 Wiley-VCH Verlag GmbH amp; Co. KGaA.",

keywords = "Enzyme catalysis, Hydrogen transfer, Molecular dynamics, Quantum chemistry, Reaction barrier",

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AU - Hay, Sam

AU - Pudney, Christopher R.

AU - McGrory, Tom A.

AU - Pang, Jiayun

AU - Sutcliffe, Michael J.

AU - Scrutton, Nigel S.

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AB - Putting the squeeze on: Hydrostatic pressure causes a shortening of the charge-transfer bond in the binary complex of morphinone reductase and NADH 4 (see diagram). Molecular dynamics simulations suggest that pressure reduces the average reaction barrier width by restricting the conformational space available to the flavin mononucleotide and NADH within the active site. The apparent rate of catalysis increases with pressure. © 2009 Wiley-VCH Verlag GmbH amp; Co. KGaA.

KW - Enzyme catalysis

KW - Hydrogen transfer

KW - Molecular dynamics

KW - Quantum chemistry

KW - Reaction barrier

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JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

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ER -

Barrier compression enhances an enzymatic hydrogen-transfer reaction

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Keywords

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