In a tribute to University of Bristol Professors Christiane Berger-Schaffitzel and Imre Berger‘s research, scientists use virtual reality to depict the novel pocket in the SARS-CoV-2 spike protein.
The discovery, in a group research paper led by Berger-Schaffitzel, finds that linoleic acid binds to a ‘druggable’ pocket in the spike protein’s protomers, which prevents the virus from attaching to human ACE2 receptors. The video visualises how a gating helix within one of the protomers opens to accommodate the linoleic acid in the pocket, as well as how Arginine 408 and Glutamine 409 interact with the linoleic acid, which acts like a ‘lid’ over the pocket to keep the molecule tightly bound.
Research study discussed: Toelzer et al. (2020). ‘Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein‘. Science. eabd3255. doi:10.1126/science.abd3255s.