Ontology highlight
ABSTRACT:
SUBMITTER: Luber S
PROVIDER: S-EPMC3139771 | biostudies-literature | 2011 Jul
REPOSITORIES: biostudies-literature
Luber Sandra S Rivalta Ivan I Umena Yasufumi Y Kawakami Keisuke K Shen Jian-Ren JR Kamiya Nobuo N Brudvig Gary W GW Batista Victor S VS
Biochemistry 20110627 29
We introduce a quantum mechanics/molecular mechanics model of the oxygen-evolving complex of photosystem II in the S(1) Mn(4)(IV,III,IV,III) state, where Ca(2+) is bridged to manganese centers by the carboxylate moieties of D170 and A344 on the basis of the new X-ray diffraction (XRD) model recently reported at 1.9 Å resolution. The model is also consistent with high-resolution spectroscopic data, including polarized extended X-ray absorption fine structure data of oriented single crystals. Our ...[more]