Fig. 6

The 3D structure of HLA-B*13:01 binding with DDS and TCR. A TCR was binding with HLA-B*13:01 and DDS as an intermedia was drawn in stick model while HLA-B*13:01 was shown in green cartoon. B TCR showed multiple salt-bridges with HLA-B*13:01. The alpha and beta chain of TCR were shown in purple. C–F the molecular of DDS, NAD, SFD and TCE were docked with HLA-B*13:01 and TCR respectively. Both SFD, TCE and NAD cannot bind in the F pocket. All drugs were drawn in stick model while HLA-B*13:01 and TCR was shown in green and purple cartoon model, respectively