Journal: ACS chemical biology
Article Title: Amide-Linked C4”-Saccharide Modification of KRN7000 Provides Potent Stimulation of Human Invariant NKT Cells and Anti-Tumor Immunity in a Humanized Mouse Model
doi: 10.1021/acschembio.0c00707
Figure Lengend Snippet: Molecular Dynamics simulation interaction diagrams (SIDs) are shown for the human CD1d-TCR complex containing 8 (A), 9 (B), 10 (C) or KRN7000 (D). Percentages indicate the fraction of time a given residue interacts with the ligand. Only interactions with an occurrence larger than 30% are displayed. The bonds adjacent to the amide’s carbonyl group are highlighted as a thick orange line in panels A, B, and C for further discussion in Figure 7. Contour lines give an approximation to the protein cavity based on the strength of the ligand-protein interactions.
Article Snippet: Molecular Dynamics simulation interaction diagrams (SIDs) are shown for the human CD1d-TCR complex containing 8 (A), 9 (B), 10 (C) or KRN7000 (D).
Techniques: Residue