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Michael Joss, Aaron Thornton, Bosco Ho, Sen O'Donoghue (CSIRO, Sydney Australia)
As outlined in the review ”The diverse biological properties of the chemically inert noble gases” (Winkler et al., 2016) there is a need to explore the possible interactions between the noble gases and proteins in order to provide viable candidates for clinical study. The drive behind the generation of this data is to provide a starting point for such exploration. The datasets accessible from this page were created using AutoGrid4 to systematically map the energy of five noble gas (He, Ne, Ar, Kr, Xe) at all grid locations (in 0.375 steps) in all ~60,000 unique PDB structures filtered by 100% sequence similarity. This retains the highest resolution structure where multiple structures of the same proteins exist.