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

Journal Article · Thu Jan 15 00:00:00 EST 2015 · Crystallography Reports

DOI:https://doi.org/10.1134/S1063774515010083· OSTI ID:22472491

Kljashtorny, V. G.; Dontsova, M. V. ^[1]

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1. Russian Academy of Sciences, Institute of Protein Research (Russian Federation)

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.

• OSTI ID: 22472491
• Journal Information: Crystallography Reports, Vol. 60, Issue 1; Other Information: Copyright (c) 2015 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA); ISSN 1063-7745
• Country of Publication: United States
• Language: English

Related Subjects

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