Quantum chemical studies of mechanisms for metalloenzymes

MRA Blomberg, T Borowski, F Himo, RZ Liao… - Chemical …, 2014 - ACS Publications
Two decades ago, theoretical model calculations played a truly minor role in understanding
mechanisms of redox-active metalloenzymes. The methods available to treat transition …

Proton-coupled electron transfer in cytochrome oxidase

VRI Kaila, MI Verkhovsky, M Wikström - Chemical reviews, 2010 - ACS Publications
Enzyme reactions that involve strong coupling between proton and electron transfer are of
fundamental importance in biology. This is particularly evident in the reactions of primary …

Structural insights into functional properties of the oxidized form of cytochrome c oxidase

I Ishigami, RG Sierra, Z Su, A Peck, C Wang… - Nature …, 2023 - nature.com
Cytochrome c oxidase (C c O) is an essential enzyme in mitochondrial and bacterial
respiration. It catalyzes the four-electron reduction of molecular oxygen to water and …

[HTML][HTML] Et tu, Grotthuss! and other unfinished stories

S Cukierman - Biochimica et Biophysica Acta (BBA)-Bioenergetics, 2006 - Elsevier
This review article is divided into three sections. In Section 1, a short biographical note on
Freiherr von Grotthuss is followed by a detailed summary of the main findings and ideas …

Long-range proton-coupled electron transfer in biological energy conversion: towards mechanistic understanding of respiratory complex I

VRI Kaila - Journal of The Royal Society Interface, 2018 - royalsocietypublishing.org
Biological energy conversion is driven by efficient enzymes that capture, store and transfer
protons and electrons across large distances. Recent advances in structural biology have …

Development of effective quantum mechanical/molecular mechanical (QM/MM) methods for complex biological processes

D Riccardi, P Schaefer, Yang, H Yu… - The Journal of …, 2006 - ACS Publications
Motivated by the long-term goal of understanding vectorial biological processes such as
proton transport (PT) in biomolecular ion pumps, a number of developments were made to …

Energy transduction: proton transfer through the respiratory complexes

JP Hosler, S Ferguson-Miller, DA Mills - Annu. Rev. Biochem., 2006 - annualreviews.org
A series of metalloprotein complexes embedded in a mitochondrial or bacterial membrane
utilize electron transfer reactions to pump protons across the membrane and create an …

A mechanistic principle for proton pumping by cytochrome c oxidase

K Faxén, G Gilderson, P Ädelroth, P Brzezinski - Nature, 2005 - nature.com
In aerobic organisms, cellular respiration involves electron transfer to oxygen through a
series of membrane-bound protein complexes. The process maintains a transmembrane …

Quantum chemical studies of proton-coupled electron transfer in metalloenzymes

PEM Siegbahn, MRA Blomberg - Chemical reviews, 2010 - ACS Publications
Proton-coupled electron transfer (PCET) is a general name for a group of rather different
reactions occurring in most redox-active enzymes. They all involve electron transfer from a …

Fixing the Q cycle

A Osyczka, CC Moser, PL Dutton - Trends in biochemical sciences, 2005 - cell.com
Mitchell's key insight that all bioenergetic membranes run on the conversion of redox energy
into transmembrane electrical and proton gradients took the form 30 years ago of a working …