Crystal structure of PduO-Type ATP:Cob(I)alamin adenosyltransferase from Bacillus cereus in a complex with ATP

► There is no need to first bind ATP in order to form the active site. ► The unique ATP interacting residues (Thr5, Lys6, and Gly8) were found. ► Dioxanes bind to cob(II)alamin binding pocket without MgATP. ► The binding of dioxane resulted in movement of Tyr30 in native structure.