In Silico Risk Assessment of HLA-A*02:06-Associated Stevens-Johnson Syndrome and Toxic Epidermal Necrolysis Caused by Cold Medicine Ingredients

Figure 2

A superposition of simulated and experimental structures of abacavir. The drug is bound at the antigenic-peptide binding groove of the HLA-B*57:01 molecule. The HLA molecules are depicted schematically. The alpha helix and beta strand are shown by red and yellow tubes, respectively. The drug molecules are depicted by stick models. The carbon atoms of abacavir located by X-ray analysis and docking simulations are colored in cyan and green, respectively. This figure is a cross-eyed stereoscopic drawing.