Rationalizing the 1.9 Å Crystal Structure of Photosystem II-A Remarkable Jahn-Teller Balancing Act Induced by a Single Proton Transfer

被引：67
作者：
Gatt, Phillip [1 ]
Petrie, Simon [1 ]
Stranger, Rob [1 ]
Pace, Ron J. [1 ]
机构：
[1] Australian Natl Univ, Res Sch Chem, Canberra, ACT 0200, Australia
来源：
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2012年 / 51卷 / 48期
基金：
澳大利亚研究理事会;
关键词：
density functional calculations; photosystem II; water-oxidizing complex; water splitting; X-ray diffraction; OXYGEN-EVOLVING COMPLEX; WATER-OXIDIZING COMPLEX; X-RAY; O-2-EVOLVING COMPLEX; MANGANESE COMPLEX; OXIDATION-STATE; MN4CA COMPLEX; RESOLUTION; CLUSTER; MN;
D O I：
10.1002/anie.201206316
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Balancing act: DFT calculations show that the structures of the water-oxidizing complex in the two most recent single crystal XRD studies of photosystem II at 2.9 Å and 1.9 Å resolution are tautomers related by a single proton transfer. The anomalous oxygen species, O(5), weakly bound to four metal centers in the 1.9 Å structure (see picture) is identified as a substrate water molecule balanced between the Jahn-Teller axes of Mn(1), Mn(3), and Mn(4). Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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收藏
页码：12025 / 12028
页数：4
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