S3 State of the O2‑Evolving Complex of Photosystem II: Insights from QM/MM, EXAFS, and Femtosecond X‑ray Diffraction
The oxygen-evolving complex (OEC) of photosystem II has been studied in the S3 state by electron paramagnetic resonance, extended X-ray absorption fine structure (EXAFS), and femtosecond X-ray diffraction (XRD). However, the actual structure of the OEC in the S3 state has yet to be established. Here...
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| Veröffentlicht in: | Biochemistry (Easton) 2016-02, Vol.55 (7), p.981-984 |
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| container_end_page | 984 |
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| container_issue | 7 |
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| container_title | Biochemistry (Easton) |
| container_volume | 55 |
| creator | Askerka, Mikhail Wang, Jimin Vinyard, David J Brudvig, Gary W Batista, Victor S |
| description | The oxygen-evolving complex (OEC) of photosystem II has been studied in the S3 state by electron paramagnetic resonance, extended X-ray absorption fine structure (EXAFS), and femtosecond X-ray diffraction (XRD). However, the actual structure of the OEC in the S3 state has yet to be established. Here, we apply hybrid quantum mechanics/molecular mechanics methods and propose a structural model that is consistent with EXAFS and XRD. The model supports binding of water ligands to the cluster in the S2 → S3 transition through a carousel rearrangement around Mn4, inspired by studies of ammonia binding. |
| doi_str_mv | 10.1021/acs.biochem.6b00041 |
| format | Article |
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| ispartof | Biochemistry (Easton), 2016-02, Vol.55 (7), p.981-984 |
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| source | MEDLINE; ACS Publications |
| subjects | Binding Sites Biocatalysis Crystallography, X-Ray Fourier Analysis Ligands Manganese - chemistry Manganese - metabolism Models, Molecular Oxidation-Reduction Photosystem II Protein Complex - chemistry Photosystem II Protein Complex - metabolism Protein Conformation Quantum Theory Water - chemistry Water - metabolism X-Ray Absorption Spectroscopy X-Ray Diffraction |
| title | S3 State of the O2‑Evolving Complex of Photosystem II: Insights from QM/MM, EXAFS, and Femtosecond X‑ray Diffraction |
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