vestnik-bio-msuВестник Московского университета. Серия 16. БиологияVestnik Moskovskogo universiteta. Seriya 16. Biologiya0137-0952Lomonosov Moscow State University, School of Biologyvestnik-bio-msu-447Research ArticleМолекулярная биологияMolecular biologyМОЛЕКУЛЯРНОЕ МОДЕЛИРОВАНИЕ ПРОСТРАНСТВЕННОЙ СТРУКТУРЫ ТЕТРАМЕРИЗАЦИОННОГО ДОМЕНА КАЛИЕВОГО КАНАЛА Kv10.2 ЧЕЛОВЕКА В РАЗЛИЧНЫХ ОЛИГОМЕРНЫХ СОСТОЯНИЯХMOLECULAR MODELING OF TETRAMERIZATION DOMAIN OF HUMAN POTASSIUM CHANNEL Kv10.2 IN DIFFERENT OLIGOMERIC STATESНовоселецкийВ. Н.NovoseletskyV. N.

Россия, 119234, г. Москва, Ленинские горы, д. 1, стр. 12

канд. физ-мат. наук, доц. кафедры биоинженерии биологического факультета МГУ. Тел.: 8-495-939-57-38

Department of Bioengineering, School of Biology

Leninskiye gory 1-12, Moscow, 119234, Russia

valeryns@gmail.comВолынцеваА. Д.VolyntsevaA. D.

Россия, 119234, г. Москва, Ленинские горы, д. 1, стр. 12

мл. науч. сотр. кафедры биоинженерии биологического факультета МГУ. Тел.: 8-495-939-57-38

Department of Bioengineering, School of Biology

Leninskiye gory 1-12, Moscow, 119234, Russia

alenkavolynceva@gmail.comШайтанК. В.ShaitanK. V.

Россия, 119234, г. Москва, Ленинские горы, д. 1, стр. 12

докт. физ-мат. наук, проф., зам. зав. кафедрой биоинженерии биологического факультета МГУ. Тел.: 8-495-939-57-38

Department of Bioengineering, School of Biology

Leninskiye gory 1-12, Moscow, 119234, Russia

shaytan49@yandex.ruСоколоваО. С.SokolovaO. S.

Россия, 119234, г. Москва, Ленинские горы, д. 1, стр. 12

докт. биол. наук, проф. кафедры биоинженерии биологического факультета МГУ. Тел.: 8-495-939-57-38

Department of Bioengineering, School of Biology

Leninskiye gory 1-12, Moscow, 119234, Russia

sokolova184@gmail.comМосковский государственный университет имени М.В. ЛомоносоваРоссияLomonosov Moscow State UniversityRussian Federation2017240420177228286Copyright © Новоселецкий В.Н., Волынцева А.Д., Шайтан К.В., Соколова О.С., 20172017Новоселецкий В.Н., Волынцева А.Д., Шайтан К.В., Соколова О.С.Novoseletsky V.N., Volyntseva A.D., Shaitan K.V., Sokolova O.S.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://vestnik-bio-msu.elpub.ru/jour/article/view/447

Потенциал-управляемый калиевый канал Kv10.2 экспрессируется в нервной системе, однако его функции и участие в развитии болезней человека остаются мало изученными. Мутации канала Kv10.2 были обнаружены при эпилептической энцефалопатии и аутизме. Моделирование пространственной структуры канала является важным инструментом для получения информации о молекулярных аспектах его функционирования и механизмах, ответственных за патогенез. В настоящей работе выполнено молекулярное моделирование спирального фрагмента C-концевого домена канала Kv10.2 человека (hEAG2) в димерной, тримерной и тетрамерной формах. Стабильность всех форм подтверждена расчётами методом молекулярной динамики. Выявлены контакты и взаимодействия, стабилизирующие структуру.

Voltage-gated potassium channel Kv10.2 is expressed in the nervous system, but its functions and involvement in the development of human disease remain poorly understood. Mutant forms of Kv10.2 channel were found in patients with epileptic encephalopathy and autistic features. Molecular modeling of the channel spatial structure is an important tool for gaining knowledge about the molecular aspects of the channel functioning and mechanisms responsible for the pathogenesis. In the present work, we performed molecular modeling of the helical fragment of the human Kv10.2 (hEAG2) C-terminal domain in dimeric, trimeric and tetrameric forms. The stability of all forms was confirmed by molecular dynamics simulation. Contacts and interactions, stabilizing the structure, were identified.

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The authors declare that there are no conflicts of interest present.