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Title: Molecular dynamics studies of pathways of water movement in cyanobacterial photosystem II

Abstract

Photosystem II (PSII) catalyzes the light-induced generation of oxygen from water. The oxygen-evolving complex is buried deep in the protein on the lumenal side of PSII, and water molecules need to pass through protein subunits to reach the active site—the manganese cluster. Previous studies on the elucidation of water channels in PSII were based on an analysis of the cavities in the static PSII structure determined by X-ray diffraction. In the present study, we perform molecular dynamics simulations of the water movement in the transport system of PSII.

Authors:
; ;  [1]
  1. Russian Academy of Sciences, Institute of Protein Research (Russian Federation)
Publication Date:
OSTI Identifier:
22472491
Resource Type:
Journal Article
Resource Relation:
Journal Name: Crystallography Reports; Journal Volume: 60; Journal Issue: 1; Other Information: Copyright (c) 2015 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; COMPUTERIZED SIMULATION; CYANOBACTERIA; MANGANESE; MOLECULAR DYNAMICS METHOD; MOLECULES; OXYGEN; PROTEINS; SOLID CLUSTERS; VISIBLE RADIATION; WATER; X-RAY DIFFRACTION

Citation Formats

Gabdulkhakov, A. G., E-mail: azat@vega.protres.ru, Kljashtorny, V. G., and Dontsova, M. V.. Molecular dynamics studies of pathways of water movement in cyanobacterial photosystem II. United States: N. p., 2015. Web. doi:10.1134/S1063774515010083.
Gabdulkhakov, A. G., E-mail: azat@vega.protres.ru, Kljashtorny, V. G., & Dontsova, M. V.. Molecular dynamics studies of pathways of water movement in cyanobacterial photosystem II. United States. doi:10.1134/S1063774515010083.
Gabdulkhakov, A. G., E-mail: azat@vega.protres.ru, Kljashtorny, V. G., and Dontsova, M. V.. Thu . "Molecular dynamics studies of pathways of water movement in cyanobacterial photosystem II". United States. doi:10.1134/S1063774515010083.
@article{osti_22472491,
title = {Molecular dynamics studies of pathways of water movement in cyanobacterial photosystem II},
author = {Gabdulkhakov, A. G., E-mail: azat@vega.protres.ru and Kljashtorny, V. G. and Dontsova, M. V.},
abstractNote = {Photosystem II (PSII) catalyzes the light-induced generation of oxygen from water. The oxygen-evolving complex is buried deep in the protein on the lumenal side of PSII, and water molecules need to pass through protein subunits to reach the active site—the manganese cluster. Previous studies on the elucidation of water channels in PSII were based on an analysis of the cavities in the static PSII structure determined by X-ray diffraction. In the present study, we perform molecular dynamics simulations of the water movement in the transport system of PSII.},
doi = {10.1134/S1063774515010083},
journal = {Crystallography Reports},
number = 1,
volume = 60,
place = {United States},
year = {Thu Jan 15 00:00:00 EST 2015},
month = {Thu Jan 15 00:00:00 EST 2015}
}