Structural basis of light‐harvesting in the photosystem II core complex

Müh, Frank; Zouni, Athina

doi:10.1002/pro.3841

Cited by 59 publications

(68 citation statements)

References 210 publications

(379 reference statements)

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“…Chlorophylls are photosynthetic pigments that play crucial roles in the absorption of sunlight, excitation energy transfer, and primary charge separation in photosynthetic organisms. 1 − 4 Their low-energy electronic transitions comprise the Q band (including the Q y and Q x transitions) and the B band, also known as the Soret band. Vibrational overtones accompany each major peak in the absorption spectra.…”

Section: Introductionmentioning

confidence: 99%

Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods

et al. 2020

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The ability to accurately compute low-energy excited states of chlorophylls is critically important for understanding the vital roles they play in light harvesting, energy transfer, and photosynthetic charge separation. The challenge for quantum chemical methods arises both from the intrinsic complexity of the electronic structure problem and, in the case of biological models, from the need to account for protein–pigment interactions. In this work, we report electronic structure calculations of unprecedented accuracy for the low-energy excited states in the Q and B bands of chlorophyll a . This is achieved by using the newly developed domain-based local pair natural orbital (DLPNO) implementation of the similarity transformed equation of motion coupled cluster theory with single and double excitations (STEOM-CCSD) in combination with sufficiently large and flexible basis sets. The results of our DLPNO–STEOM-CCSD calculations are compared with more approximate approaches. The results demonstrate that, in contrast to time-dependent density functional theory, the DLPNO–STEOM-CCSD method provides a balanced performance for both absorption bands. In addition to vertical excitation energies, we have calculated the vibronic spectrum for the Q and B bands through a combination of DLPNO–STEOM-CCSD and ground-state density functional theory frequency calculations. These results serve as a basis for comparison with gas-phase experiments.

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Section: Introductionmentioning

confidence: 99%

Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods

et al. 2020

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“…Light energy is collected and funneled towards P680 by the two membrane-intrinsic antenna proteins CP43 and CP47. These proteins bind most of the chlorophyll molecules and are located at opposite sides of the D1/D2 heterodimer (Müh and Zouni, 2020). Moreover, at least twelve small transmembrane subunits with one or two transmembrane helices have been identified in PSII (Shi et al, 2012), including cytochrome-b559 (Stewart and Brudvig, 1998).…”

Section: Introductionmentioning

confidence: 99%

How to build a water-splitting machine: structural insights into photosystem II assembly

Zabret

Bohn

Schuller

et al. 2020

Preprint

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Biogenesis of photosystem II (PSII), nature’s water splitting catalyst, is assisted by auxiliary proteins that form transient complexes with PSII components to facilitate stepwise assembly events. Using cryo-electron microscopy, we solved the structure of such a PSII assembly intermediate with 2.94 Å resolution. It contains three assembly factors (Psb27, Psb28, Psb34) and provides detailed insights into their molecular function. Binding of Psb28 induces large conformational changes at the PSII acceptor side, which distort the binding pocket of the mobile quinone (QB) and replace bicarbonate with glutamate as a ligand of the non-heme iron, a structural motif found in reaction centers of non-oxygenic photosynthetic bacteria. These results reveal novel mechanisms that protect PSII from damage during biogenesis until water splitting is activated. Our structure further demonstrates how the PSII active site is prepared for the incorporation of the Mn4CaO5 cluster, which performs the unique water splitting reaction.One Sentence HighlightThe high-resolution Cryo-EM structure of the photosystem II assembly intermediate PSII-I reveals how nature’s water splitting catalyst is assembled, protected and prepared for photoactivation by help of the three assembly factors Psb27, Psb28 and Psb34.

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“…2 (a) The chlorophylls of the CP47 complex (green color), labelled according to the nomenclature proposed by Müh and Zouni. 1 This side view is analogous to that of the top panel of Fig. 1.…”

Section: Introductionmentioning

confidence: 65%

“…Light harvesting and excitation energy transfer are essential processes in natural photosynthesis, performed by arrays of chromophores embedded in functional protein matrices. [1][2][3] In the case of the enzyme photosystem II (PSII) of oxygenic photosynthesis these processes involve both extrinsic antenna proteins, such as peripheral light harvesting complexes, and intrinsic antenna proteins that are integral components of a functional PSII assembly. 1 These core antenna proteins in PSII are the transmembrane chlorophyll-binding proteins CP43 (PsbC) and CP47 (PsbB) (ca.…”

Section: Introductionmentioning

confidence: 99%

“…[1][2][3] In the case of the enzyme photosystem II (PSII) of oxygenic photosynthesis these processes involve both extrinsic antenna proteins, such as peripheral light harvesting complexes, and intrinsic antenna proteins that are integral components of a functional PSII assembly. 1 These core antenna proteins in PSII are the transmembrane chlorophyll-binding proteins CP43 (PsbC) and CP47 (PsbB) (ca. 43 and 47 kDa respectively), which contain chlorophyll a and carotenoid molecules.…”

Section: Introductionmentioning

confidence: 99%

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Chlorophyll excitation energies and structural stability of the CP47 antenna of photosystem II: a case study in the first-principles simulation of light-harvesting complexes

2021

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Structural basis of light‐harvesting in the photosystem II core complex

Cited by 59 publications

References 210 publications

Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods

Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods

How to build a water-splitting machine: structural insights into photosystem II assembly

Chlorophyll excitation energies and structural stability of the CP47 antenna of photosystem II: a case study in the first-principles simulation of light-harvesting complexes

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