Figure 4. Molecular dynamic analysis of SALDan.

(A) Backbone RMSDs are shown for SALDan and SALDan complexes at 300 K. Black coloration indicates apo-SALDan; SALDan with NAD⁺ is shown in red; SALDan with SAL is shown in green; and SALDan with both NAD⁺ and SAL is shown in blue. (B) The substrate and cofactor binding sites. A two-dimensional representation of ligand–protein interactions for the SALDan–SAL (a) and SALDan–NAD⁺ (b) complexes. (C) RMSF of the residue positions of SALDan and SALDan complexes at 300 K. Apo-SALDan, SALDan with NAD⁺, SALDan with SAL, and SALDan with both NAD⁺ and SAL are shown in black, red, blue, and green, respectively.