| Literature DB >> 26849148 |
Mikhail Askerka1, Jimin Wang1, David J Vinyard1, Gary W Brudvig1, Victor S Batista1.
Abstract
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.Entities:
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Year: 2016 PMID: 26849148 DOI: 10.1021/acs.biochem.6b00041
Source DB: PubMed Journal: Biochemistry ISSN: 0006-2960 Impact factor: 3.162