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79th Harden Conference: Oxygen Evolution and Reduction - Common Principles

16—20 April 2016

Grauer Bär, Innsbruck, Austria

The oxygen evolving complex (OEC) of photosystem II is responsible for the formation from water of the oxygen in our atmosphere. Cytochrome oxidase (CO) and related respiratory oxidases convert oxygen back into water as part of the respiratory processes that provide the energy for survival of most living organisms.

The underlying redox chemistry of oxygen/water interconversion is complex. The OEC and CO systems have evolved unique mechanisms of catalysis which very effectively combine efficiency, stability and speed with avoidance of release of damaging, partially reduced, reactive oxygen species (ROS). Such remarkable performance has yet to be achieved with any (bio)mimetic chemical systems.

The structures of the metal-containing sites and the proteins that house them have been elucidated at high resolution by X-ray crystallography. Their makeup is amenable to the application of most biophysical and spectroscopic techniques and their properties are firmly at the interface of biology, chemistry and physics. They have also become a major focus of modern computational methods.

Though the OEC and CO systems utilise quite different metallic prosthetic groups, there are mechanistic and structural aspects and questions that are common – for example, the four-step redox chemistry, the avoidance of ROS, the involvement of radical amino acids and the roles of protons and their transfer pathways. In fact, similar techniques are being applied to both systems; yet, they are rarely discussed comparatively. The format of this Harden meeting is designed to bring together such expertise and to promote exchange of concepts and technological developments.
Peter Rich (University College London, United Kingdom)
Gary Brudvig (Yale University, U.S.A.)
Fraser MacMillan (University of East Anglia, United Kingdom)
Amandine Maréchal (University College London, United Kingdom)
Saturday 16 April 2016
14:00 - 15:50 Arrival and registration

15:50 - 16:00 Welcome and Introduction: Peter Rich

16:00 - 17:00
The Keilin Memorial Lecture
Understanding and preventing mitochondrial oxidative damage
Michael Murphy (MRC-Mitochondrial Biology Unit, United Kingdom)
17:00 - 18:30 Flash Poster Presentations

19:00 Welcome reception and dinner

Session 1: OEC and CO: Structures Part 1

Session sponsored by Applied Photophysics

James Barber
Sunday 17 April 2016
09:00 - 09:40
Photosysten II: The water slitting enzyme of photosynthesis and the originof oxygen in our atmosphere
James Barber (Imperial College London, United Kingdom)
09:40 - 10:20
The Power of Native-like Photosystem II Crystals: Investigations by Static- and Dynamic X-ray diffraction methods.
Athina Zouni (Humboldt-Universität zu Berlin, Germany)
10:20 - 10:50 Coffee/tea break

10:50 - 11:30
High resolution structure of photosystem II and the mechanism of water-splitting
Jian-Ren Shen (Okayama University, Japan)
11:30 - 12:30 Open Discussion Session integrating selected oral communications (8 minute presentations) from participant posters

The end-Permian extinction as a warning for the Anthropocene
Selected Oral Communication - Thomas Moore (Arizona State University, USA)
Water oxidation in photosynthesis: insight from water-exchange experiments
Selected Oral Communication - Johannes Messinger (Umeå University, Sweden)
Structural rearrangements preceding dioxygen formation by the water oxidation complex of photosystem II
Selected Oral Communication - Robert Burnap (Oklahoma State University, USA)
12:30 - 13:30 Lunch

13:30 - 15:00 Poster session

Session 2: OEC and CO: Structures Part 2

Robert Gennis
Sunday 17 April 2016
15:00 - 15:40
Diversity of the heme-copper oxidoreductase superfamily
Robert B. Gennis (University of Illinois, U.S.A.)
15:40 - 16:20
'Proton transfer in the heme-copper oxidases; What have we learnt from its 'odd' members
Pia Ädelroth (Stockholm University, Sweden)
16:20 - 16:50 Coffee/tea break

16:50 - 17:30
Cytochrome Oxidase: Conformational Questions and K-Path Conundrums
Shelagh Ferguson-Miller (Michigan State University, U.S.A.)
17:30 - 18:30 Open Discussion Session integrating selected oral communications (8 minute presentations) from participant posters

Lipid effects on coupled oxidase & ATP synthase in vitro liposome system
Selected Oral Communication - Tobias Nilsson (Stockholm University, Sweden)
Computational studies of the oxygen reduction mechanism show that the heme-Cu-tyrosine active site in cytochrome oxidase is optimized for energy conservation
Selected Oral Communication - Margareta Blomberg (Stockholm University, Sweden)
Molecular dynamics simulations of cytochrome c oxidase provide atomistic insights into proton transfer pathways
Selected Oral Communication - Vivek Sharma (Tampere University of Technology, Finland)
19:00 Dinner

Session 3: OEC and CO: Computational Methods

Per Siegbahn
Monday 18 April 2016
09:00 - 09:40
Theoretical studies of photosytem II and cytochrome c oxidase
Per Siegbahn (University of Stockholm, Sweden)
09:40 - 10:20
Multi-scale Molecular Simulations on PCET in Respiratory and Photosynthetic Enzymes
Ville Kaila (Technische Universität München, Germany)
10:20 - 10:50 Coffee/tea break

10:50 - 11:30
How Photosystem II and Cytochrome c Oxidase build the proton gradient
Marilyn Gunner (City College of New York, U.S.A.)
11:30 - 12:30 Open Discussion Session integrating selected oral communications (8 minute presentations) from participant posters

NH3 Binding to the S2 State of the O2-Evolving Complex of Photosystem II points at H2O Binding during the S2 → S3 Transition: Insights from QM/MM, EXAFS, and Femtosecond X-ray Diffraction
Selected Oral Communication - Mikhail Askerka (Yale University, USA)
Selected Oral Communication - Ronald Pace (Australian National University, Australia)
Geometrical, electronic and spin structures of the CaMn4O5 cluster in oxygen evolving complex of photosystem II
Selected Oral Communication - Kizashi Yamaguchi (Osaka University, Japan)
Reorganization of Waters Molecules during the S2 to S3 Transition in the Oxygen Evolving Complex
Selected Oral Communication - Daniele Narzi (University of L'Aquila, Italy)
12:30 - 13:30 Lunch

13:30 - 17:00 Free afternoon

Session 4: Related Model Systems

P. Leslie Dutton
Monday 18 April 2016
17:00 - 17:40
Toward manmade light- and redox- driven oxidoreductases working in cells
P. Leslie Dutton (University of Pennsylvania, U.S.A.)
17:40 - 18:20
Artificial photosynthetic constructs that mimic the PCET process of the Tyrz-His relay of PSII
Ana Moore (Arizona State University, U.S.A.)
18:20 - 19:00
New insights into catalytic cycle for the reduction of oxygen to water by the alternative oxidase
Anthony Moore (University of Sussex, United Kingdom)
19:00 - 19:30 Open Discussion Session integrating selected oral communications (8 minute presentations) from participant posters

Dioxygen evolution by chlorite dismutase depends on coordination of transiently produced hypochlorite to an oxoiron(IV) intermediate
Selected Oral Communication - Stefan Hofbauer (Max F. Perutz Laboratories, Austria)
Mechanism of H2O2 to O2 oxidation by bifunctional catalase-peroxidase
Selected Oral Communication - Christian Obinger (BOKU - University of Natural Resources and Life Sciences, Austria)
20:00 Dinner

Session 5: OEC and CO: Mechanisms Part 1

Gary Brudvig
Tuesday 19 April 2016
09:00 - 09:40
Time-resolved femtosecond crystallography: towards molecular movies of the water splitting process in Photosystem II
Petra Fromme (Arizona State University, U.S.A.)
09:40 - 10:20
Water oxidation reaction in Photosystem II studied by X-ray crystallography and X-ray spectroscopy
Junko Yano (Lawrence Berkeley National Laboratory, U.S.A.)
10:20 - 10:50 Coffee/tea break

10:50 - 11:30
The Oxygen Isotope Effect of Photosystem II Unveiled
Gary Brudvig (Yale University, U.S.A.)
11:30 - 12:30 Open Discussion Session integrating selected oral communications (8 minute presentations) from participant posters

The PsbY protein of Arabidopsis Photosystem II is important for the redox control of Cytochrome b559
Selected Oral Communication - Wolfgang Schröder (Umea University, Sweden)
Tuning of a conformational change in CP29 from spinach: from Light Harvesting to Photoprotection
Selected Oral Communication - Vangelis Daskalakis (Cyprus University of Technology, Cyprus)
Energetics of the S2 State Spin Isomers of the Oxygen-evolving Complex in Photosystem II
Selected Oral Communication - David Vinyard (Yale University, U.S.A.)
FTIR studies of the substrate/water reactions of the Mn4CaO5 cluster of Photosystem II
Selected Oral Communication - Richard Debus (University of California, Riverside, U.S.A.)
12:30 - 13:30 Lunch

13:30 - 15:00 Poster session

Session 6: OEC and CO: Mechanisms Part 2

Mårten Wikström
Tuesday 19 April 2016
15:00 - 15:40
Protonation dynamics in photosynthetic water oxidation
Holger Dau (Freie Universität Berlin, Germany)
15:40 - 16:20
Regulation of the cytochrome c oxidase activity in S. cerevisiae
Peter Brzezinski (Stockholm University, Sweden)
16:20 - 16:50 Coffee/tea break

16:50 - 17:30
The mechanism of oxygen reduction by cytochrome c oxidase
Mårten Wikström (University of Helsinki, Finland)
17:30 - 18:30 Open Discussion Session integrating selected oral communications (8 minute presentations) from participant posters

Individual absolute absorption spectra of cytochrome c oxidase hemes a2+ and a32+ resolved by femtosecond pump-probe spectroscopy
Selected Oral Communication - Artem Dyuba (A.N.Belozersky Institute of Physico-Chemical Biology, Russian Federation)
Effects of high and low ATP/ADP ratios on oxygen consumption by cytochrome oxidase and consequent ROS production in mitochondria
Selected Oral Communication - Rabia Ramzan (Philipps University Marburg, Germany)
18:30 - 19:30
Erich Gnaiger (Oroboros Instruments/Medical University of Innsbruck)
20:00 Conference Dinner

Session 7: COST ACTION CM1306 Understanding Movement and Mechanism in Molecular Machines

Fraser MacMillan
Wednesday 20 April 2016
09:00 - 09:40
High-Field Pulse EPR: A New Biophysical Tool for the Study of the Oxygen Evolving Complex
Nicholas Cox (Max Planck Institute for Chemical Energy Conversion, Germany)
09:40 - 10:20
Pulse EPR studies of ammonia binding to the PSII oxygen evolving complex
David Britt (University of California, Davis, U.S.A.)
10:20 - 10:50 Coffee/tea break

10:50 - 11:45 Selected Oral Communication slots from poster abstracts from COST-Action CM1306 posters

Divergent assembly mechanisms of the manganese/iron cofactors in R2lox and R2c proteins
Selected Oral Communication - Yury Kutin (Max Planck Institute for Chemical Energy Conversion, Germany)
Electron transfer kinetics in Photosystem II from Thermosynechococchus elongatus
Selected Oral Communication - Sven De Causmaecker (Imperial College London, United Kingdom)
Time-resolved difference FTIR and UV-Vis-NIR studies on electron transfer reactions and associated events in bacterial photosynthetic reaction centres
Selected Oral Communication - Alberto Mezzetti (Universite Pierre et Marie Curie, France)
Selected Oral Communication - Andrew Hartley (UCL/Birkbeck, United Kingdom)
The molecular evolution of the Qo-motif
Selected Oral Communication - Wei-Chun Kao (University of Freiburg, Germany)
11:45 - 12:45 Overall Summary Discussion Session

12:45 - 13:00 Close of Meeting
Prizes and Concluding Remarks

13:00 Meeting closes