NDLI: Molecular dynamics simulations of a DNA photolyase protein : High-mobility and conformational changes of the FAD molecule at low temperatures

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Molecular dynamics simulations of a DNA photolyase protein : High-mobility and conformational changes of the FAD molecule at low temperatures

Content Provider	Semantic Scholar
Author	Kholmurodov, Kholmirzo Dushanov, Ermuhammad Yasuoka, Kenji
Copyright Year	2013
Abstract	A molecular dynamics (MD) simulation is performed on a DNA photolyase to study the conformational behavior of the photoactive cofactor flavin adenine dinucleotide (FAD) inside the enzyme pocket. A DNA photolyase is a highly efficient light-driven enzyme that repairs the UV-induced cyclobutane pyrimidine dimer in damaged DNA. In this work, the FAD conformational and dynamic changes were studied within the total complex structure of a DNA photolyase protein (containing FADH, MTHF, and DNA molecules) embedded in a water solvent. We aimed to compare the conformational changes of the FAD cofactor and other constituent fragments of the molecular system under consideration. The obtained results were discussed to gain insight into the light-driven mechanism of DNA repair by a DNA photolyase enzyme—based on the enzyme structure, the FAD mobility, and conformation shape.
File Format	PDF HTM / HTML
Alternate Webpage(s)	http://file.scirp.org/pdf/ABB20120300001_33304386.pdf
Language	English
Access Restriction	Open
Subject Keyword	4,6-dinitro-o-cresol 5,11-methenyltetrahydrohomofolate Adenine Cold Temperature Cyclobutanes DNA Photolyase DNA Repair Dinucleoside Phosphates Domino tiling Embedded system Embedding Flavin-Adenine Dinucleotide Haystack (MIT project) Molecular Dynamics Pyrimidine Dimers Pyrimidines Simulation chemical cofactor
Content Type	Text
Resource Type	Article

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