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Published April 19, 2023 | Version v1
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The database of TCR-peptide-MHC modeled structures from the paper: "Large-scale template-based structural modeling of T-cell receptors with known antigen specificity reveals complementarity features"

  • 1. Institute of Translational Medicine, Center for Precision Genome Editing and Genetic Technologies for Biomedicine, Pirogov Russian National Research Medical University, Moscow, Russia
  • 2. Center of Life Sciences, Skolkovo Institute of Science and Technology, Moscow, Russia
  • 3. Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, Russia

Description

Models_VDJdb.tar.gz: contains TCR-peptide-MHCI modeld structures and 29 templates, discussed in the paper "Large-scale template-based structural modeling of T-cell receptors with known antigen specificity reveals complementarity features"  

VDJdb_Models_annotation_w_new_names.csv: spreadsheet containing annotations of the modeled structures. The following column names are used:

  • vdjdb.pdb.id: model name in the attached database
  • cdr3.alpha: CDR3α amino acid sequence
  • cdr3.beta: CDR3β amino acid sequence
  • orig.alpha(/beta): if “TRUE”, the CDR3α/β sequence is the same as in the corresponding original PDB template. If “FALSE”, the CDR3α/β carries one amino acid substitution (illustrated in the mutation.signature column).
  • vdjdb.pdb.id.from: PDB structure that was used as a template for the modeling
  • mutation.signature: illustration of the introduced substitution
  • pdb.id:  the model name, used during the analysis of the discussed results in the paper.  

Files

VDJdb_Models_annotation_w_new_names.csv

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