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. 2007 Nov 2;94(4):1412–1427. doi: 10.1529/biophysj.107.111096

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Ternary DlADH·NAD⁺·TFE complex with the ionization scenario at the active site. (A) Amino acids lining the R1 (wire model in green) and R2 (wire model in blue) subpockets of the active site. Only selected active site residues are included. The nicotinamide and ribose ring of NAD⁺, catalytic triad (Ser-138, Tyr-151, and Lys-155), and TFE are shown as stick models colored according to the atom type (carbon-yellow, nitrogen-blue, oxygen-red, and hydrogen-gray). (B) Fluctuation of atomic distances between TFE and atoms of the active site during the MD.

Inline graphic — Ternary DlADH·NAD⁺·TFE complex with the ionization scenario at the active site. (A) Amino acids lining the R1 (wire model in green) and R2 (wire model in blue) subpockets of the active site. Only selected active site residues are included. The nicotinamide and ribose ring of NAD⁺, catalytic triad (Ser-138, Tyr-151, and Lys-155), and TFE are shown as stick models colored according to the atom type (carbon-yellow, nitrogen-blue, oxygen-red, and hydrogen-gray). (B) Fluctuation of atomic distances between TFE and atoms of the active site during the MD.