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: | , , , |
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| Format: | Article |
| Language: | Russian |
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Institute of Computer Science
2009-12-01
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| Series: | Компьютерные исследования и моделирование |
| Subjects: | |
| Online Access: | http://crm.ics.org.ru/uploads/kim4/crm09409.pdf |
| _version_ | 1818887290096713728 |
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| author | P. A. Mamonov P. M. Krasilnikov P. P. Knox Andrei B. Rubin |
| author_facet | P. A. Mamonov P. M. Krasilnikov P. P. Knox Andrei B. Rubin |
| author_sort | P. A. Mamonov |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-19T16:34:52Z |
| format | Article |
| id | doaj.art-75a80a05672d44d3ba08f0fdbd4ce2c0 |
| institution | Directory Open Access Journal |
| issn | 2076-7633 2077-6853 |
| language | Russian |
| last_indexed | 2024-12-19T16:34:52Z |
| publishDate | 2009-12-01 |
| publisher | Institute of Computer Science |
| record_format | Article |
| series | Компьютерные исследования и моделирование |
| spelling | doaj.art-75a80a05672d44d3ba08f0fdbd4ce2c02022-12-21T20:14:01ZrusInstitute of Computer ScienceКомпьютерные исследования и моделирование2076-76332077-68532009-12-011443744810.20537/2076-7633-2009-1-4-437-4481604Modelling of conformational change within photosynthetic reaction center of Rb. sphaeroides bacteriaP. A. MamonovP. M. KrasilnikovP. P. KnoxAndrei B. RubinA 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.http://crm.ics.org.ru/uploads/kim4/crm09409.pdfRhodobacter sphaeroidesphotosynthetic reaction centerconformational changereaction of recombination |
| spellingShingle | P. A. Mamonov P. M. Krasilnikov P. P. Knox Andrei B. Rubin Modelling of conformational change within photosynthetic reaction center of Rb. sphaeroides bacteria Компьютерные исследования и моделирование Rhodobacter sphaeroides photosynthetic reaction center conformational change reaction of recombination |
| title | Modelling of conformational change within photosynthetic reaction center of Rb. sphaeroides bacteria |
| title_full | Modelling of conformational change within photosynthetic reaction center of Rb. sphaeroides bacteria |
| title_fullStr | Modelling of conformational change within photosynthetic reaction center of Rb. sphaeroides bacteria |
| title_full_unstemmed | Modelling of conformational change within photosynthetic reaction center of Rb. sphaeroides bacteria |
| title_short | Modelling of conformational change within photosynthetic reaction center of Rb. sphaeroides bacteria |
| title_sort | modelling of conformational change within photosynthetic reaction center of rb sphaeroides bacteria |
| topic | Rhodobacter sphaeroides photosynthetic reaction center conformational change reaction of recombination |
| url | http://crm.ics.org.ru/uploads/kim4/crm09409.pdf |
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