Functional Proton-Electron Transfer Elements in Biological Energy Conversion

Project Information

bioPCET

Grant agreement ID: 715311

DOI 10.3030/715311

Project closed

EC signature date 1 December 2016

Start date 1 February 2017

End date 31 January 2023

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost € 1 494 368,00

EU contribution € 1 494 368,00

Coordinated by

STOCKHOLMS UNIVERSITET
Sweden

Publications

Peer reviewed articles (20)

Resolving Chemical Dynamics in Biological Energy Conversion: Long-Range Proton-Coupled Electron Transfer in Respiratory Complex I.

Author(s): Ville Kaila
Published in: Accounts of Chemical Research, Issue 4, 2021, ISSN 0001-4842
Publisher: American Chemical Society
DOI: 10.1021/acs.accounts.1c00524

Deactivation blocks proton pathways in the mitochondrial complex I

Author(s): Michael Röpke, Daniel Riepl, Patricia Saura, Andra Di Luca, Max E Mühlbauer, Alexander Jussupow, Ana P. Gamiz-Hernandez, Ville R. I. Kaila
Published in: Proceedings of the National Academy of Sciences USA, 2021, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2019498118

Functional Dynamics of an Ancient Membrane-Bound Hydrogenase

Author(s): Max E. Mühlbauer, Ana P. Gamiz-Hernandez, Ville R. I. Kaila
Published in: Journal of the American Chemical Society, 2021, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.1c09356

Structure of inhibitor-bound mammalian complex I

Author(s): Hannah R. Bridges, Justin G. Fedor, James N. Blaza, Andrea Di Luca, Alexander Jussupow, Owen D. Jarman, John J. Wright, Ahmed-Noor A. Agip, Ana P. Gamiz-Hernandez, Maxie M. Roessler, Ville R. I. Kaila, Judy Hirst
Published in: Nature Communications, Issue 11/1, 2020, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-020-18950-3

Functional Water Wires Catalyze Long-Range Proton Pumping in the Mammalian Respiratory Complex I

Author(s): Michael Röpke,Patricia Saura, Daniel Riepl, Maximilian C. Pöverlein, Ville R. I. Kaila
Published in: Journal of the American Chemical Society, 2020, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.0c09209

Design of buried charged networks in artificial proteins

Author(s): Mona Baumgart, Michael Röpke, Max E. Mühlbauer, Sam Asami, Sophie L. Mader, Kai Fredriksson, Michael Groll, Ana P. Gamiz-Hernandez, Ville R. I. Kaila
Published in: Nature Communications, Issue 12/1, 2021, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-021-21909-7

Architecture of Bacterial Respiratory Chains

Author(s): Ville R. I. Kaila, Mårten Wikström
Published in: Nature Rev Microbiol, 2021, ISSN 1740-1526
Publisher: Nature Publishing Group
DOI: 10.1038/s41579-020-00486-4

Water-Gated Proton Transfer Dynamics in Respiratory Complex I

Author(s): Max E. Mühlbauer, Patricia Saura, Franziska Nuber, Andrea Di Luca, Thorsten Friedrich, Ville R. I. Kaila
Published in: Journal of the American Chemical Society, 2020, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.0c02789

Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC

Author(s): Alexander Katsyv; Anuj Kumar; Patricia Saura; Maximilian C. Pöverlein; Sven A. Freibert; Sven T. Stripp; Surbhi Jain; Ana P. Gamiz-Hernandez; Ville R. I. Kaila; Volker Müller; Jan M. Schuller
Published in: Crossref, Issue 9, 2023, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.2c11683

Molecular strain in the active/deactive-transition modulates domain coupling in

Author(s): Andrea Di Luca, Ville R. I. Kaila
Published in: Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2021, ISSN 0005-2728
Publisher: Elsevier BV
DOI: 10.1016/j.bbabio.2021.148382

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

Author(s): Ville R. I. Kaila
Published in: Journal of The Royal Society Interface, Issue 15/141, 2018, Page(s) 20170916, ISSN 1742-5689
Publisher: The Royal Society
DOI: 10.1098/rsif.2017.0916

Terminal Electron–Proton Transfer Dynamics in the Quinone Reduction of Respiratory Complex I

Author(s): Ana P. Gamiz-Hernandez, Alexander Jussupow, Mikael P. Johansson, Ville R. I. Kaila
Published in: Journal of the American Chemical Society, Issue 139/45, 2017, Page(s) 16282-16288, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.7b08486

Energetics and dynamics of a light-driven sodium-pumping rhodopsin

Author(s): Carl-Mikael Suomivuori, Ana P. Gamiz-Hernandez, Dage Sundholm, Ville R. I. Kaila
Published in: Proceedings of the National Academy of Sciences, Issue 114/27, 2017, Page(s) 7043-7048, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.1703625114

How inter-subunit contacts in the membrane domain of complex I affect proton transfer energetics

Author(s): Andrea Di Luca, Max E. Mühlbauer, Patricia Saura, Ville R.I. Kaila
Published in: Biochimica et Biophysica Acta (BBA) - Bioenergetics, Issue 1859/9, 2018, Page(s) 734-741, ISSN 0005-2728
Publisher: Elsevier BV
DOI: 10.1016/j.bbabio.2018.06.001

Redox-coupled quinone dynamics in the respiratory complex I

Author(s): Judith Warnau, Vivek Sharma, Ana P. Gamiz-Hernandez, Andrea Di Luca, Outi Haapanen, Ilpo Vattulainen, Mårten Wikström, Gerhard Hummer, Ville R. I. Kaila
Published in: Proceedings of the National Academy of Sciences, Issue 115/36, 2018, Page(s) E8413-E8420, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.1805468115

Molecular dynamics and structural models of the cyanobacterial NDH-1 complex

Author(s): Patricia Saura, Ville R.I. Kaila
Published in: Biochimica et Biophysica Acta (BBA) - Bioenergetics, Issue 1860/3, 2019, Page(s) 201-208, ISSN 0005-2728
Publisher: Elsevier BV
DOI: 10.1016/j.bbabio.2018.11.010

Electric field modulated redox-driven protonation and hydration energetics in energy converting enzymes

Author(s): Patricia Saura, Daniel M. Frey, Ana P. Gamiz-Hernandez, Ville R. I. Kaila
Published in: Chemical Communications, Issue 55/43, 2019, Page(s) 6078-6081, ISSN 1359-7345
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9cc01135h

How cardiolipin modulates the dynamics of respiratory complex I

Author(s): Alexander Jussupow, Andrea Di Luca, Ville R. I. Kaila
Published in: Science Advances, Issue 5/3, 2019, Page(s) eaav1850, ISSN 2375-2548
Publisher: AAAS
DOI: 10.1126/sciadv.aav1850

Energetics and Dynamics of Proton-Coupled Electron Transfer in the NADH/FMN Site of Respiratory Complex I

Author(s): Patricia Saura, Ville R. I. Kaila
Published in: Journal of the American Chemical Society, Issue 141/14, 2019, Page(s) 5710-5719, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.8b11059

Redox-coupled proton pumping drives carbon concentration in the photosynthetic complex I

Author(s): Jan M. Schuller, Patricia Saura, Jacqueline Thiemann, Sandra K. Schuller, Ana P. Gamiz-Hernandez, Genji Kurisu, Marc M. Nowaczyk, Ville R. I. Kaila
Published in: Nature Communications, Issue 11/1, 2020, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-020-14347-4

Book chapters (1)

Multi-scale Molecular Simulations on Respiratory Complex I.

Author(s): Ville R. I. Kaila
Published in: Mechanisms of Primary Energy Transduction in Biology, 2018, Page(s) 81-103
Publisher: Royal Society of Chemistry
DOI: 10.1039/9781788010405-00081