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. 2023 Jun 20;14:1159109. doi: 10.3389/fgene.2023.1159109

FIGURE 4.

FIGURE 4

TCR-pMHC model containing autoantigens presented by SjD-susceptible HLA to the TCRs of selected patients. Two different peptides were selected to be presented by a SjD-susceptible HLA (DRA*01/DRB1*0301) to a selected paired TCR from SjD patient (VA 12-2, JA 13, CDR3A: CAVRIGGYQKVTF; VB 3-1, JB 2-3, CDR3B: CASSQEGREGRNTQYF). In molecular docking, a nine amino acid peptide is predicted to bind. The intermolecular contacts of this peptide are presented in the corresponding predictive model diagrams (aa1–4, upper, in order to clearly present the side chain amino acid order from right to left; aa5–9, lower, order from left to right). (A) NPWLILSEDRRQVRL, “WLILSEDRR” is predicted to bind. (B) FTFIQFKKDLKESMK, “IQFKKDLKE” is predicted to bind. (C) Superposition of the two TCR-pMHC models (A,B) showed a divergent presentation pattern. In (A,B), Pink and green: HLA-DRA*01/DRB1*0301. Turquoise and orange: TCRα and ß chains. Purple: peptide.