Fig. 2: Structures of hsNadE and tbNadE in the activated complexes.

a–d Diagram and structures of the glutaminase and synthetase domains in one polypeptide chain of the superimposed structure (b) of hsNadE with NaAD⁺, AMP, and MgPPi (c) and tbNadE with the sulfonamide derivative 1 (SFI) and PPi (d) using the glutaminase domains alone for superimposition. Residue numbering in the schematic diagram of hsNadE and tbNadE is shown in black and red, respectively. The P1 and P2 loops at the synthetase active sites, the YRE at the glutaminase domain, and the linker connecting the glutaminase and synthetase domains are colored accordingly to the diagram. Ligands bound in the structures are shown in spheres. e, f Comparison of the molecules in the asymmetric unit and in the subunit interfaces in hsNadE (e) and tbNadE (f). The buried surfaces of both complexes are compared between subunits A and B in hsNadE, subunits B and D, and subunits B and C in tbNadE. The number was calculated by PISA²⁸ and shown in Å.