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. 2023 Sep 25;299(11):105290. doi: 10.1016/j.jbc.2023.105290

Figure 3.

Figure 3

Least squares comparison of unliganded and NAD analog bound X-ray and cryo-EM AbTir-TIR domains. Least squares comparison of crystal structures of AbTIr-TIR 8G83 (blue) and 7UWG (gray), left panel. Least squares comparison of X-ray AbTir-TIR 8G83 (blue) and cryoEM structure 7UXU (tan) without (middle panel) and with NAD analog 3AD shown (right panel). HDX-MS peptides with changes in EX1 kinetics and conformations upon binding εNAD are colored as shown in Figure 4. A helix (cyan) FVRPLAETLQQL, B helix, BC loop and C beta-strand (red) RQKIDSGLRNSKYGTVVL, and E helix IAHQLAD (purple). εNAD, ethano-NAD; AbTir-TIR, Acinetobacter baumannii TIR domain protein; HDX-MS, hydrogen-deuterium exchange mass spectrometry.