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Figure 3
Two fragments of an inhibitor binding to the Polo-box domain of Plk1 (PDB entry 4mlu ). (a) The environment of a histidine moiety of the ligand superimposed on the 2mFo − DFc map (blue at +1.0σ) and the mFo − DFc map at ±3.0σ (positive contours, green; negative contours, red), strongly suggesting the existence of a substituent at the N∊ atom and beyond. (b) The environment of a phosphate group at the other end of the ligand with the 2mFo − DFc map (blue at +1.5σ) and the mFo − DFc map at ±3.0σ (positive contours, green; negative contours, red), suggesting that just a few water molecules are present rather than the two conformations of the expected phosphoester moiety.

IUCrJ
Volume 1| Part 3| April 2014| Pages 179-193
ISSN: 2052-2525
doi:10.1107/S2052252514005442