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. 2021 Sep 6;12:5271. doi: 10.1038/s41467-021-25605-4

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© The Author(s) 2021

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 2 — a Overall structure of the IDH2^WT peptide bound to HLA-B*07:02 (PDB ID 6UJ8). The IDH2^WT-HLA-B*07:02 complex is formed as a heterodimer between the heavy chain, represented as a white surface, and β2-microglobulin, represented as cartoon. The resolution of the IDH2^WT-HLA-B*07:02 structure is 2.25 Å with an average B-factor of 40 Å². b A bird’s-eye view of the IDH2^WT peptide sitting in the HLA-B*07:02 peptide-binding groove. Amino acid residues of the IDH2^WT peptide are labeled. c Overall structure of the IDH2^R140Q peptide bound to HLA-B*07:02 (PDB ID 6UJ7). The heavy chain is represented as a white surface, and β2-microglobulin, represented as cartoon. The resolution of the IDH2^R140Q-HLA-B*07:02 structure is 1.9 Å with an average B-factor of 34 Å². d A bird’s-eye view of the IDH2^R140Q peptide bound in the HLA-B*07:02 binding pocket. The residue of interest, IDH2^R140Q, is buried in the peptide-binding groove. e Different orientation of (d) highlighting the downward position of the epitope of interest. f Structural alignment of the WT and mutant IDH2 peptides, showing the interactions between the epitope residue of interest and residues on the β-sheet floor of HLA-B*07:02. IDH2 peptide residues are labeled with single-letter amino acid codes. The HLA-B*07:02 residues are shown in green (mutant) and raspberry (WT) lines and labeled with three-letter amino acid codes; hydrogen bonds are represented as dotted lines.