Document Type
Article
Publication Date
3-1-2016
Abstract
© 2016 American Chemical Society. 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.
Publication Source (Journal or Book title)
Biochemistry
First Page
981
Last Page
984
Recommended Citation
Askerka, M., Wang, J., Vinyard, D., Brudvig, G., & Batista, V. (2016). S3 State of the O2-Evolving Complex of Photosystem II: Insights from QM/MM, EXAFS, and Femtosecond X-ray Diffraction. Biochemistry, 55 (7), 981-984. https://doi.org/10.1021/acs.biochem.6b00041