However, recent structural evidence suggests interactions between the CDR3 region, which predominantly drives antigen specificity, and the MHC (12, 13): Specific amino acids from MHC genes which contact or are spatially proximal to the TCR or peptide in the TCR–peptide–MHC complex have been shown to bias V gene usage . Thus, TCR-peptide ...

2021年4月26日 · We improved it to create ERGO-II by adding the CDR3 alpha segment, the MHC typing, V and J genes, and T cell type (CD4+ or CD8+) as to the predictor. We then estimate the contribution of each component to the prediction.

2019年3月4日 · MHC-restriction disfavors TCR with CDR3 longer than 13 amino acids, limits positively charged and hydrophobic amino acids in CDR3β, and clonally deletes TCRs with cysteines in their CDR3...

In this chapter, we introduce a predictive method that involves generation of multiple peptides and TCR CDR 3 loop conformations, solvation of these conformers in the context of the MHC-peptide-TCR ternary complex, extraction of parameters from the generated complexes, and use of an AI model to evaluate the potential for the assembled ternary co...

2005年1月9日 · We quantified and evaluated the effect of natural and systematic substitutions in the complementarity-determining region (CDR) loops on ligand binding in the context of the structural detail of...

2017年10月9日 · We investigated static and dynamic structural features of the TCR–pMHC complexes and of TCRs in a free state, as well as the relationship between binding affinity and interface area.

2003年2月3日 · Comparison of these structures showed that the BM3.3 TCR complementarity-determining region (CDR) 3α could undergo rearrangements to adapt to structurally different peptide residues. Therefore,...

2020年6月6日 · Complementarity-determining region 3 (CDR3) is the most variable part of the TCRα and -β chains, which govern interactions with peptide–MHC complexes. However, it remains unclear how the CDR3 landscape is shaped by individual MHC context during thymic selection of naïve T cells.

Mature T cells bearing αβ T cell receptors react with foreign antigens bound to alleles of major histocompatibility complex proteins (MHC) that they were exposed to during their development in the thymus, a phenomenon known as positive selection. ...

2021年4月25日 · However, recent structural evidence suggests interactions between the CDR3 region, which predominantly drives antigen specificity, and the MHC (12, 13): Specific amino acids from MHC genes which contact or are spatially proximal to the TCR or peptide in the TCR–peptide–MHC complex have been shown to bias V gene usage . Thus, TCR-peptide ...