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Apo-hCA II active site solvent structure during CO2 release: (A) 0 s, (B) 50 s, (C) 3 min, and (D) 10 min. Electron density 2Fo-Fc (blue) and Fo-Fc (green) maps are contoured at 1.5σ and 5.0σ, respectively. The 2Fo-Fc maps for waters and CO2 are highlighted in pink for clarity. Note that the two solvent molecules in close proximity to W3b are observed only at 0 s (A) . As was observed for the holo-hCA II, WDW and WDW′ substitute the released CO2. Solvent and amino acids are as labeled.
