Electronic structure of the oxygen-evolving complex in photosystem II prior to O-O bond formation

Science ◽  
2014 ◽  
Vol 345 (6198) ◽  
pp. 804-808 ◽  
Author(s):  
N. Cox ◽  
M. Retegan ◽  
F. Neese ◽  
D. A. Pantazis ◽  
A. Boussac ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photosystem Ii ◽  
Bond Formation ◽  
Oxygen Evolving Complex ◽  
Oxygen Evolving

scholarly journals The Basic Properties of the Electronic Structure of the Oxygen-evolving Complex of Photosystem II Are Not Perturbed by Ca2+Removal

2012 ◽  
Vol 287 (29) ◽  
pp. 24721-24733 ◽  
Author(s):  
Thomas Lohmiller ◽  
Nicholas Cox ◽  
Ji-Hu Su ◽  
Johannes Messinger ◽  
Wolfgang Lubitz
Keyword(s):  
Electronic Structure ◽  
Photosystem Ii ◽  
Oxygen Evolving Complex ◽  
Basic Properties ◽  
Oxygen Evolving

scholarly journals Electronic structure of S2 state of the oxygen-evolving complex of photosystem II studied by PELDOR

2013 ◽  
Vol 1827 (3) ◽  
pp. 438-445 ◽  
Author(s):  
Mizue Asada ◽  
Hiroki Nagashima ◽  
Faisal Hammad Mekky Koua ◽  
Jian-Ren Shen ◽  
Asako Kawamori ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photosystem Ii ◽  
Oxygen Evolving Complex ◽  
S2 State ◽  
Oxygen Evolving

Large-scale QM/MM calculations of the CaMn4O5 cluster in the S3 state of the oxygen evolving complex of photosystem II. Comparison between water-inserted and no water-inserted structures

2017 ◽  
Vol 198 ◽  
pp. 83-106 ◽  
Author(s):  
Mitsuo Shoji ◽  
Hiroshi Isobe ◽  
Takahito Nakajima ◽  
Yasuteru Shigeta ◽  
Michihiro Suga ◽  
...  
Keyword(s):  
Photosystem Ii ◽  
Water Oxidation ◽  
Large Scale ◽  
Geometrical Structure ◽  
Bond Formation ◽  
Oxygen Evolving Complex ◽  
Computational Results ◽  
Hydroxide Anion ◽  
The Right ◽  
Oxygen Evolving

Large-scale QM/MM calculations were performed to elucidate an optimized geometrical structure of a CaMn4O5 cluster with and without water insertion in the S3 state of the oxygen evolving complex (OEC) of photosystem II (PSII). The left (L)-opened structure was found to be stable under the assumption of no hydroxide anion insertion in the S3 state, whereas the right (R)-opened structure became more stable if one water molecule is inserted to the Mn4Ca cluster. The optimized Mna(4)–Mnd(1) distance determined by QM/MM was about 5.0 Å for the S3 structure without an inserted hydroxide anion, but this is elongated by 0.2–0.3 Å after insertion. These computational results are discussed in relation to the possible mechanisms of O–O bond formation in water oxidation by the OEC of PSII.

Electronic structure of the oxygen evolving complex in photosystem II, as revealed by 55Mn Davies ENDOR studies at 2.5 K

2014 ◽  
Vol 16 (17) ◽  
pp. 7799-7812 ◽  
Author(s):  
Lu Jin ◽  
Paul Smith ◽  
Christopher J. Noble ◽  
Rob Stranger ◽  
Graeme R. Hanson ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photosystem Ii ◽  
Oxygen Evolving Complex ◽  
Tetranuclear Cluster ◽  
Oxygen Evolving

55Mn pulsed ENDOR of the oxygen evolving complex (S2 state) at 2.5 K indicates the presence of a MnIII3MnIV tetranuclear cluster.

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