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Accurate prediction by AlphaFold2 for ligand binding in a reductive dehalogenase and implications for PFAS (per- and polyfluoroalkyl substance) biodegradation

Despite the success of AlphaFold2 (AF2), it is unclear how AF2 models accommodate for ligand binding. Here, we start with a protein sequence from Acidimicrobiaceae TMED77 (T7RdhA) with potential for catalyzing the degradation of per- and polyfluoroalkyl substances (PFASs). AF2 models and experiments...

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Detalles Bibliográficos
Autores principales:	Guo, Hao-Bo, Varaljay, Vanessa A., Kedziora, Gary, Taylor, Kimberly, Farajollahi, Sanaz, Lombardo, Nina, Harper, Eric, Hung, Chia, Gross, Marie, Perminov, Alexander, Dennis, Patrick, Kelley-Loughnane, Nancy, Berry, Rajiv
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10008544/ https://www.ncbi.nlm.nih.gov/pubmed/36906658 http://dx.doi.org/10.1038/s41598-023-30310-x

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