Figure 6: Predicted binding pose of clozapine in the antigen-presenting pocket of HLA-B*39.
From: Clozapine-induced agranulocytosis is associated with rare HLA-DQB1 and HLA-B alleles
Docking of clozapine into the putative antigen-binding pocket of the homology model of HLA-B39 identified a binding pose (shown in this figure) with the highest predicted binding affinity. Residues in the protein-binding pocket involved in specific interactions with clozapine are annotated.