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Water molecules in the binding site of Hsp90 N-terminal domain in the apo form (1YER). Each water molecule is labeled with the observed displacement fraction based on the analysis of 103 ligands considered in this study. A subset of four highly conserved water molecules (labeled W1–W4) is involved in several hydrogen bonds with the binding site. One of these water molecules (W2) was not seen in 1YER, and its position was derived by superposition of a liganded structure (1UY6).
