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Repair of DNA Dewar Photoproduct to (6-4) Photoproduct in (6-4) Photolyase
Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för organisk kemi.
Vise andre og tillknytning
2011 (engelsk)Inngår i: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 115, nr 37, s. 10976-10982Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

Dewar photoproduct (Dewar PP) is the valence isomer of (6-4) photoproduct ((6-4)PP) in photodamaged DNA. Compared to the extensive studied CPD photoproducts, the underlying repair mechanisms for the (6-4)PP, and especially for the Dewar PP, are not well-established to date. In this paper, the repair mechanism of DNA Dewar photoproduct T(dew)C in (6-4) photolyase was elucidated using hybrid density functional theory. Our results showed that, during the repair process, the T(dew)C has to isomerize to T(6-4)C photolesion first via direct C6'-N3' bond cleavage facilitated by electron injection. This isomerization mechanism is energetically much more efficient than other possible rearrangement pathways. The calculations provide a theoretical interpretation to recent experimental observations.

sted, utgiver, år, opplag, sider
2011. Vol. 115, nr 37, s. 10976-10982
HSV kategori
Identifikatorer
URN: urn:nbn:se:su:diva-66532DOI: 10.1021/jp204128kISI: 000294875100020OAI: oai:DiVA.org:su-66532DiVA: diva2:469796
Merknad
authorCount :6Tilgjengelig fra: 2011-12-27 Laget: 2011-12-20 Sist oppdatert: 2017-12-08bibliografisk kontrollert

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