Figure 3. NMR evidence for reduced imatinib-induced core disassembly in truncated Abl constructs.

(A) Selected ¹H-¹⁵N TROSY resonances that report on the imatinib-induced disassembly (left and middle panels) and the SH3SH2/KD interface (right panel). The label indicates the last amino acid of the respective Abl^83-X construct. Abbreviations: ima:imatinib, PD16:PD166326.(B) Scores plot of the PCA of the SH3 and SH2 domain chemical shifts of various Abl core complexes and apo forms. Abbreviations: asci:asciminib, bosu:bosutinib, axi:axitinib, dasa:dasatinib, danu:danusertib, toza:tozasertib, staur:staurosporine, reba:rebastinib, pona:ponatinib, nilo:nilotinib, bafe:bafetinib. (C) Loadings plot of the PCA shown in panel B indicating contributions of individual ¹H^N and ¹⁵N chemical shifts to the first two PCs. Resonances with absolute PC1 or PC2 loadings larger than 0.15 are highlighted in red and blue, respectively. V92 has large loadings for both PCs and is shown in pink. (D) Residues with large PC1 or PC2 loadings according to panel C indicated as spheres within the assembled Abl core structure (PDB 2FO0). The color coding follows panel C.