MD Simulations Reveal Complex Water Paths in Squalene–Hopene Cyclase: Tunnel-Obstructing Mutations Increase the Flow of Water in the Active Site

[Image: see text] Squalene–hopene cyclase catalyzes the cyclization of squalene to hopanoids. A previous study has identified a network of tunnels in the protein, where water molecules have been indicated to move. Blocking these tunnels by site-directed mutagenesis was found to change the activation...

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Detalles Bibliográficos
Autores principales: Gustafsson, Camilla, Vassiliev, Serguei, Kürten, Charlotte, Syrén, Per-Olof, Brinck, Tore
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6645472/
https://www.ncbi.nlm.nih.gov/pubmed/31457386
http://dx.doi.org/10.1021/acsomega.7b01084

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6645472/
https://www.ncbi.nlm.nih.gov/pubmed/31457386
http://dx.doi.org/10.1021/acsomega.7b01084

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