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. Author manuscript; available in PMC: 2019 Sep 1.
Published in final edited form as: Drug Resist Updat. 2018 Aug 25;40:1–12. doi: 10.1016/j.drup.2018.08.001

Figure 3.

Figure 3.

The substrate-binding site of Bacillus cereus MBL. (A) The original 4nq7 deposit is modeled with compound D-VC26, and (B) the re-refined deposit 5w8w is modeled with an unknown atom. C atoms are shown in dark gray, N in blue, O in red (water as a sphere), S in yellow, Zn ions as gray spheres, and UNX atom as a magenta sphere. The electron density maps are contoured at 1.0σ for 2mFo-DFc (blue) and +/−3.0σ for mFo-DFc (green/red). Black dash lines represent coordination bonds. The ligands and the electron density maps, including omit maps, can be inspected using an interactive figure created with Molstack (http://molstack.bioreproducibility.org/project/view/ENLUIPQ0L5LVX6D4GI3B/).