Modelling of conformational change within photosynthetic reaction center of Rb. sphaeroides bacteria
A possible conformational change, which accompanies electron tranport in Rb. sphaeroides photosynthetic reaction center (RC), was studied using quantum-chemical approach. A kinetic model which takes into account two conformational states of RC is proposed. The model quantitatively describes experime...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | Russian |
| Published: |
Institute of Computer Science
2009-12-01
|
| Series: | Компьютерные исследования и моделирование |
| Subjects: | |
| Online Access: | http://crm.ics.org.ru/uploads/kim4/crm09409.pdf |
| Summary: | A possible conformational change, which accompanies electron tranport in Rb. sphaeroides photosynthetic reaction center (RC), was studied using quantum-chemical approach. A kinetic model which takes into account two conformational states of RC is proposed. The model quantitatively describes experimental temperature dependencies of recombination reaction rate P+QA- PQA. Quantum-chemical modeling of primary quinone (QA) binding site permits one to propose a minor shift of QA as a conformational change of interest. The shift is accompanied by break of a hydrogen bond between 4-C=O group of QA and histidine M219, and formation of a new hydrogen bond between QA and hydroxyl group of threonine M222. Characteristics of this conformational change were obtained from quantum-chemical calculations and match parameters of kinetic model in qualitative fashion. |
|---|---|
| ISSN: | 2076-7633 2077-6853 |