Given that the catalytic zone is now hydrophobic in nature and water molecules are essential for CO2 hydration, therefore, it raises an intriguing question about how water can gate into the active site. A thorough investigation of the MD trajectories reveal that the water molecules cannot access the CO2 via the hydrophobic side of the 'bipolar' active site. Instead, the CO2 connects with the bulk water by slightly tilting the phenyl ring of the 'gatekeeper' Phe504 residue (cf. Figure ). In another sense, when bulk water molecules approach the Phe504 residue, the phenyl ring flips to create a gateway for the water to enter the catalytic site. This water gating mechanism highlights the remarkable role of the Phe504 residue as a 'gatekeeper' and its involvement in regulating catalytic activity. Furthermore, a visual representation of the evolution of water accessible pathways in proximity to the CO2 at different timescales during MD simulation is shown in Figure . It further depicts that the highest level of water accessibility around CO2 can be observed after its transfer to the hydrophobic zone (see 'final' in Figure ). Thus, our MD simulation explores the choreography of enzyme residues in regulating water molecules and their entry into the catalytic site.