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. Author manuscript; available in PMC: 2017 Aug 15.
Published in final edited form as: Bioorg Med Chem Lett. 2016 Jul 4;26(16):3950–3954. doi: 10.1016/j.bmcl.2016.07.006

Figure 2.

Figure 2

A. Yersinia pestis DHPS (YpDHPS) with compound 16 at the active site. Also shown is the omit map (mFo-DFc) showing the electron density of 16 contoured at 2σ (PDB ID: 5JQ9). B. YpDHPS with the product analog pteroic acid bound at the active site (PDB ID: 3TYU). C. Bacillus anthracis DHPS (BaDHPS) with the pterin-sulfathiazole (DHP-STZ) catalytic product bound at the active site (PDB ID: 3TYE). D. Superimposition of the YpDHPS 16 complex and the YpDHPS near transition state complex (PDB ID: 3TYZ). In all figures, the DHPS cartoon and carbon atoms are grey, the oxygen, nitrogen and sulfur atoms are red, blue and yellow respectively, and the compound carbons are cyan. In (D), the transition state structure is shown as pink cartoon and carbon atoms, the ordered loop2 is shown in green, and the essential Mg2+ ion is shown.