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

FIGURE 4.

FIGURE 4

Electrostatic surface of the x-ray structure of DlADH. The most electronegative surfaces are in red, whereas the most electropositive areas are in blue. (A) Electrostatic surface of the entire monomeric DlADH. (B) Closer view of the NAD+ binding region in the apo form of DlADH active site, viewed as in A. NAD+ is shown in a position that corresponds to the position in the binary x-ray crystal structure complex. The NAD+ molecule is shown as a stick model and colored according to atom type (carbon-yellow, nitrogen-blue, oxygen-red). A cutting plane has been inserted in the region of the NAD+ molecule, and the NAD+ bond that is missing in the figure is due to the cutting plane. (C) A closer view of the electrostatic surface of the nicotinamide and ribose binding regions of the active site cavity of the ternary x-ray crystallographic complex DlADH·NAD+·TFE (PDB ID: 1SBY). The nicotinamide-binding site is slightly electronegative, whereas the ribose-binding region is strongly electropositive.