Comprehensive Analysis of Binding Sites in Tubulin

Tubulin plays essential roles in vital cellular activities and is the target of a wide range proteins ligands. Here, using combined computational crystallographic fragment screening approach, we addressed question how many binding sites exist tubulin. We identified 27 distinct sites, which 11 have not been described previously, analyzed their relationship to known tubulin–protein tubulin–ligand interactions. further observed an intricate pocket communication network 56 chemically diverse fragments that bound 10 tubulin sites. Our results offer unique structural basis for development novel small molecules use as modulators basic research applications or drugs. Furthermore, our method lays down framework may help discover new pockets other pharmaceutically important targets characterize them terms chemical tractability allosteric modulation.