Structure and dynamics of the N-terminal loop of PsbQ from photosystem II of Spinacia oleracea.
Infrared and Raman spectroscopy were applied to identify restraints for the structure determination of the 20 amino acid loop between two beta-sheets of the N-terminal region of the PsbQ protein of the oxygen evolving complex of photosystem II from Spinacia oleracea by restraint-based homology modeling. One of the initial models has shown a stable fold of the loop in a 20 ns molecular dynamics simulation that is in accordance with spectroscopic data. Cleavage of the first 12 amino acids leads to a permanent drift in the root means square deviation of the protein backbone and induces major structural changes.
Ristvejová
Jaroslava
J
Laboratory of High Performance Computing, Institute of Systems Biology and Ecology of AS CR, Institute of Physical Biology of USB, Zámek 136, 37333 Nové Hrady, Czech Republic.
Kopecký
Vladimír
V
Sovová
Zofie
Z
Balsera
Mónica
M
Arellano
Juan B
JB
Green
Michael
M
Ettrich
Rüdiger
R