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Figure 1
The inhibitor in PDB entry 3hnb has been fitted into electron density that is better explained by water molecules. (a) Re-solving the structure with the ligand of interest taken from PDB entry 3hnb shows that there is no electron density supporting the placement of the ligand. (b) The electron density in the site where the ligand was fitted is better explained by ordered water molecules. Figure produced using Coot with the BUSTER 2mFo − DFc map contoured at 1.3 r.m.s.d. shown as a grey mesh and the mFo − DFc difference maps contoured at 3.5 r.m.s.d. shown as red (negative) and green (positive) solid surfaces. |

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