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Coordination of the nucleophilic water molecule for TDG82-308 bound to cadCF DNA (PDB ID: 6U17). The 2Fo–Fc electron density map, contoured at 1.0σ, is shown for water molecules only (some omitted for clarity). Dashed lines represent hydrogen bonds with interatomic distances (in Å) shown (otherwise ≤3.3 Å). The nucleophile (magenta sphere) and electrophile (C1′) are separated by 3.8 Å (thin dotted line).
