DFT modeling of the first step of plastoquinol oxidation by the iron–sulfur protein of the cytochrome b 6 f complex
| Autor: | Boris V. Trubitsin, Alexander N. Tikhonov, Leila Yu. Ustynyuk |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
0301 basic medicine
biology Cytochrome b6f complex Chemistry General Chemistry Crystal structure 010402 general chemistry 01 natural sciences 0104 chemical sciences Catalysis 03 medical and health sciences Crystallography 030104 developmental biology Iron-sulfur protein Cytochrome b6 biology.protein Cluster (physics) |
| Zdroj: | Mendeleev Communications. 28:170-172 |
| ISSN: | 0959-9436 |
| DOI: | 10.1016/j.mencom.2018.03.020 |
| Popis: | DFT analysis of several models for 2,3,5-trimethylbenzoquinol oxidation in the catalytic center of the cytochrome b6 f complex, consisting of the [Fe2S2] cluster and its surroundings, has been performed. The comparison of optimized structures with different numbers (14–20) of fixed internal coordinates allowed us to find an optimal model close to the crystal structure. |
| Databáze: | OpenAIRE |
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