WFRF:(Lu Hua)
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- Ai, Yue-Jie,1982-KTH,Teoretisk kemi och biologi (author)
Repair of DNA Dewar Photoproduct to (6-4) photoproduct in (6-4) Photolyase
- Article/chapterEnglish2011
Publisher, publication year, extent ...
- 2011-08-29
- American Chemical Society (ACS),2011
- printrdacarrier
Numbers
- LIBRIS-ID:oai:DiVA.org:kth-33526
- https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-33526URI
- https://doi.org/10.1021/jp204128kDOI
- https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-66532URI
Supplementary language notes
- Language:English
- Summary in:English
Part of subdatabase
- SwePubSwePub
Classification
Notes
- QC 20111010
- authorCount :6
- 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.
Subject headings and genre
- NATURVETENSKAP Kemi hsv//swe
- NATURAL SCIENCES Chemical Sciences hsv//eng
- DENSITY-FUNCTIONAL THEORY
- REACTION-MECHANISM
- METHYL INTERMEDIATE
- ENZYMATIC-REACTIONS
- CRYSTAL-STRUCTURE
- ENZYMES
- LIGHT
- PHOTOLESIONS
- HISTIDINES
- MOLECULES
Added entries (persons, corporate bodies, meetings, titles ...)
- Liao, Rongzhen,1983-Stockholm University (author)
- Chen, ShiluBeijing Institute of Technology (author)
- Hua, Wei-JieKTH,Teoretisk kemi och biologi(Swepub:kth)u16a94ty (author)
- Fang, Wei-Hai (author)
- Luo, YiKTH,Teoretisk kemi och biologi(Swepub:kth)u126eitw (author)
- Liao, Rong-ZhenStockholms universitet,Institutionen för organisk kemi (author)
- Chen, Shi-Lu (author)
- KTHTeoretisk kemi och biologi (creator_code:org_t)
Related titles
- In:Journal of Physical Chemistry B: American Chemical Society (ACS)115:37, s. 10976-109821520-61061520-5207
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