Analysis of the Radiation-Damage-Free X-ray Structure of Photosystem II in Light of EXAFS and QM/MM Data

被引:68
作者
Askerka, Mikhail [1 ]
Vinyard, David J. [1 ]
Wang, Jimin [2 ]
Brudvig, Gary W. [1 ]
Batista, Victor S. [1 ]
机构
[1] Yale Univ, Dept Chem, New Haven, CT 06520 USA
[2] Yale Univ, Dept Mol Biophys & Biochem, New Haven, CT 06520 USA
基金
美国国家卫生研究院;
关键词
OXYGEN-EVOLVING COMPLEX; PHOTOSYNTHETIC O2 EVOLUTION; MANGANESE COMPLEX; CRYSTAL-STRUCTURE; ROOM-TEMPERATURE; ANGSTROM RESOLUTION; OXIDATION-STATE; FEMO-COFACTOR; WATER; SPECTROSCOPY;
D O I
10.1021/acs.biochem.5b00089
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
A recent femtosecond X-ray diffraction study produced the first high-resolution structural model of the oxygen-evolving complex of photosystem II that is free of radiation-induced manganese reduction (Protein Data Bank entries 4UB6 and 4UB8). We find, however, that the model does not match extended X-ray absorption fine structure and QM/MM data for the S-1 state. This is attributed to uncertainty about the positions of oxygen atoms that remain partially unresolved, even at 1.95 angstrom resolution, next to the heavy manganese centers. In addition, the photosystem II crystals may contain significant amounts of the S-0 state, because of extensive dark adaptation prior to data collection.
引用
收藏
页码:1713 / 1716
页数:4
相关论文
共 35 条
[1]   Parallel calculation of electron multiple scattering using Lanczos algorithms [J].
Ankudinov, AL ;
Bouldin, CE ;
Rehr, JJ ;
Sims, J ;
Hung, H .
PHYSICAL REVIEW B, 2002, 65 (10) :1041071-10410711
[2]   Structural Changes in the Oxygen-Evolving Complex of Photosystem II Induced by the S1 to S2 Transition: A Combined XRD and QM/MM Study [J].
Askerka, Mikhail ;
Wang, Jimin ;
Brudvig, Gary W. ;
Batista, Victor S. .
BIOCHEMISTRY, 2014, 53 (44) :6860-6862
[3]   Femtosecond X-ray protein nanocrystallography [J].
Chapman, Henry N. ;
Fromme, Petra ;
Barty, Anton ;
White, Thomas A. ;
Kirian, Richard A. ;
Aquila, Andrew ;
Hunter, Mark S. ;
Schulz, Joachim ;
DePonte, Daniel P. ;
Weierstall, Uwe ;
Doak, R. Bruce ;
Maia, Filipe R. N. C. ;
Martin, Andrew V. ;
Schlichting, Ilme ;
Lomb, Lukas ;
Coppola, Nicola ;
Shoeman, Robert L. ;
Epp, Sascha W. ;
Hartmann, Robert ;
Rolles, Daniel ;
Rudenko, Artem ;
Foucar, Lutz ;
Kimmel, Nils ;
Weidenspointner, Georg ;
Holl, Peter ;
Liang, Mengning ;
Barthelmess, Miriam ;
Caleman, Carl ;
Boutet, Sebastien ;
Bogan, Michael J. ;
Krzywinski, Jacek ;
Bostedt, Christoph ;
Bajt, Sasa ;
Gumprecht, Lars ;
Rudek, Benedikt ;
Erk, Benjamin ;
Schmidt, Carlo ;
Hoemke, Andre ;
Reich, Christian ;
Pietschner, Daniel ;
Strueder, Lothar ;
Hauser, Guenter ;
Gorke, Hubert ;
Ullrich, Joachim ;
Herrmann, Sven ;
Schaller, Gerhard ;
Schopper, Florian ;
Soltau, Heike ;
Kuehnel, Kai-Uwe ;
Messerschmidt, Marc .
NATURE, 2011, 470 (7332) :73-U81
[4]   Reflections on substrate water and dioxygen formation [J].
Cox, Nicholas ;
Messinger, Johannes .
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS, 2013, 1827 (8-9) :1020-1030
[5]   The manganese complex of photosystem II in its reaction cycle - Basic framework and possible realization at the atomic level [J].
Dau, Holger ;
Haumann, Michael .
COORDINATION CHEMISTRY REVIEWS, 2008, 252 (3-4) :273-295
[6]   On the structure of the manganese complex of photosystem II: extended-range EXAFS data and specific atomic-resolution models for four S-states [J].
Dau, Holger ;
Grundmeier, Alexander ;
Loja, Paola ;
Haumann, Michael .
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES, 2008, 363 (1494) :1237-1243
[7]   Structure of the Oxygen Evolving Complex of Photosystem II at Room Temperature [J].
Davis, Katherine M. ;
Pushkar, Yulia N. .
JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 119 (08) :3492-3498
[8]   Nitrogenase MoFe-protein at 1.16 Å resolution:: A central ligand in the FeMo-cofactor [J].
Einsle, O ;
Tezcan, FA ;
Andrade, SLA ;
Schmid, B ;
Yoshida, M ;
Howard, JB ;
Rees, DC .
SCIENCE, 2002, 297 (5587) :1696-1700
[9]   Architecture of the photosynthetic oxygen-evolving center [J].
Ferreira, KN ;
Iverson, TM ;
Maghlaoui, K ;
Barber, J ;
Iwata, S .
SCIENCE, 2004, 303 (5665) :1831-1838
[10]   COOPERATION OF CHARGES IN PHOTOSYNTHETIC O2 EVOLUTION .2. DAMPING OF FLASH YIELD OSCILLATION, DEACTIVATION [J].
FORBUSH, B ;
KOK, B ;
MCGLOIN, MP .
PHOTOCHEMISTRY AND PHOTOBIOLOGY, 1971, 14 (03) :307-&