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. 2015 Jan 7;6:5935. doi: 10.1038/ncomms6935

Figure 2. Crystal structures of wild-type AMSDH and single-crystal electronic absorption spectrum of a catalytic intermediate.

Figure 2

AMSDH was co-crystallized with NAD+ to give AMSDH-NAD+ binary complex crystals that were used for soaking experiments. (a) Active site structure of the binary AMSDH-NAD+ complex, (b) the ternary complex of AMSDH-NAD+ crystals soaked with 2-AMS for 5 min before flash cooling, (c) the ternary complex of AMSDH-NAD+ soaked with 2-HMS for 10 min before flash cooling, (d) the trapped thioacyl, NADH-bound intermediate obtained by soaking AMSDH-NAD+ crystals with 2-HMS for 40 min before flash cooling. (e) Two-dimensional interaction diagram for NAD+ binding. (f) Close-up of the thioacyl intermediate in d. (g) Single-crystal electronic absorption spectrum of d. Protein backbone and residues are shown as light blue cartoons and sticks, respectively. The substrates and intermediate are shown as yellow sticks, and NAD+ and NADH are shown as green sticks. The omit map for ligands is contoured to 2.0 σ and shown as a grey mesh.