In all instances, the σ-hole was deeper and formed a stronger bond with the nucleophile NH 3. These findings advance our fundamental knowledge of non-covalent interactions based on σ- and π-holes and ...

Based on the structure and the fact that Asp 60 is the only conserved nucleophile among the ΨS superfamily that is present in the cleft, we propose that Asp 60 is the catalytic nucleophile.