Fig. 7.

NADPS+ has a more favorable binding to NAD kinase, compared with NADP+. (A) Human NAD kinase (cartoon) complexed with NAD⁺ (space-filling model). Chain A is colored deep blue, and chain B is colored forest green (last snapshot from 2 ns of dynamics in TIP3P water box). Built from Protein Data Bank codes 3PFN (Human) and 1Z0Z (Arch. fulgidus). (B) Close-up of binding region with NAD⁺ and key interacting residues depicted as stick models where NAD⁺ (ball and stick model) carbon atoms are colored gray and chain A protein residue carbon atoms are colored navy blue, with chain B residue carbon atoms colored teal. (C) Close-up of binding region with NADP⁺ and key interacting residues depicted as stick models where NADP⁺ (ball and stick model) carbon atoms are colored gray and chain A protein residue carbon atoms are colored navy blue, with chain B residue carbon atoms colored teal. (D) Close-up of binding region with NADPS⁺ and key interacting residues depicted as stick models where NADPS⁺ (ball and stick model) carbon atoms are colored gray and chain A protein residue carbon atoms are colored navy blue, with chain B residue carbon atoms colored teal.