Fig. 1: The taccalonolide microtubule stabilizers covalently bind β-tubulin. | Nature Communications

Fig. 1: The taccalonolide microtubule stabilizers covalently bind β-tubulin.

From: Elucidating target specificity of the taccalonolide covalent microtubule stabilizers employing a combinatorial chemical approach

Fig. 1

a Structures of taccalonolides AF (1) and AJ (2) showing verified absolute configuration of the 22,23-epoxy moiety. b The ORTEP drawing of the single-crystal X-ray structure of 2 (CCDC ID: 1907790). c The published crystal structure (PDB ID: 5EZY) of 2 (red) bound to β-tubulin was superimposed with a model of 2 (blue) docked into β-tubulin (RMSD = 0.221) generated by CovDock. d The proposed reaction mechanism between 2 and β-tubulin D226. e The key tubulin residues that mediate the binding affinity of 2 in the docking model structure of c. The residues within a radius of 3.5 Å from 2 are displayed. The key H2O molecule bridging 2 and T223 was retained as it improved the accuracy of docking experiments.

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