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The Effect of Backbone Constraints: The Case of Water Oxidation by the Oxygen-Evolving Complex in PSII
Stockholms universitet, Naturvetenskapliga fakulteten, Fysikum. Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för biokemi och biofysik.
2011 (engelsk)Inngår i: ChemPhysChem, ISSN 1439-4235, E-ISSN 1439-7641, Vol. 12, nr 17, 3274-3280 s.Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

The procedure for fixing atoms of amino acid residues in cluster model calculations on enzymes is reviewed. Examples from recent calculations on photosystem II (PSII) and Mo,Cu-dependent CO dehydrogenase are given. In this context, the cluster model work on finding a mechanism for O?O bond formation and a structure of the oxygen-evolving complex in PSII is also reviewed. In that work, fixing certain atoms played an important role. The main part of the present study concerns the mechanism in PSII using models based on the new high-resolution (1.9 angstrom) X-ray structure, which is compared to that using the old, theoretically suggested, structure. It is concluded that the mechanism remains the same, with a similar barrier height. Finally, a connection between the OEC structure and Mn,Ca-containing minerals is also briefly discussed.

sted, utgiver, år, opplag, sider
2011. Vol. 12, nr 17, 3274-3280 s.
Emneord [en]
amino acids, computational chemistry, enzyme catalysis, photosystem II, reaction mechanisms
HSV kategori
Identifikatorer
URN: urn:nbn:se:su:diva-70635DOI: 10.1002/cphc.201100475ISI: 000297693200023OAI: oai:DiVA.org:su-70635DiVA: diva2:483009
Merknad
authorCount :1Tilgjengelig fra: 2012-01-24 Laget: 2012-01-23 Sist oppdatert: 2017-12-08bibliografisk kontrollert

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