Computational Identification and Characterization of a Promiscuous T-Cell Epitope on the Extracellular Protein 85B of Mycobacterium spp. for Peptide-Based Subunit Vaccine Design

Figure 4

Docking of the epitope with HLA-A24 (a), HLA-A2 (b), HLA-B44 (c), HLA-B27 (d), and HLA-B39 (e). Building of the 3D structure of the Ag85B T-cell epitope and 3D models of HLA-B39 and the docking of receptor MHC with the epitope were performed as mentioned in Figure 3. MHC I structures are shown in gray ribbon and the amino acid residues involved in the H-bonding interaction are shown as red sticks and labeled red. The epitope is shown as green ribbon and the amino acid residues involved in the H-bonding network are shown as yellow sticks and labeled black. MHC I binding pockets are shown as electrostatic sphere. H-bonds are displayed as blue spheres and the H-bonding distances are labeled blue. H-bonding interaction between the amino acid residues of the epitope and those of the MHC I are detailed in Additional File 8, Table  S6.

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