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

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

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