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. 2022 Apr 13;5:354. doi: 10.1038/s42003-022-03311-1

Fig. 5. Cofactor and substrate structures in the ALDH1A3-NAD+ complex (PDB code 7QK8).

Fig. 5

a 2Fo–Fc electron density maps contoured at σ = 1 over Cys313, Cys314, Glu280, NAD+, PEG1, PEG2 and water molecules inside the cofactor and substrate-binding pockets. b For monomers A and B, hydrogen bonds of Cys314, Asn469 and NAD+ with PEG1, and polder OMIT maps at σ = 3.5 over Cys314 and PEG1. A highly conserved water molecule near Cys314 is depicted in red. The parts of the structure depicted with thin lines in monomer B represent those no longer interacting with the PEG1 molecule, with respect to monomer A.