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What is the specific metal center and coordination geometry of the active site in the metalloenzyme carbonic anhydrase, and how does this structure allow for the efficient catalysis of the hydration of carbon dioxide to bicarbonate?

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The specific metal center in the active site of the metalloenzyme carbonic anhydrase is a zinc ion  Zn . The coordination geometry of the zinc ion in the active site is a distorted tetrahedral geometry. The zinc ion is coordinated to three histidine residues  His94, His96, and His119 in human carbonic anhydrase II  from the protein and a hydroxide ion  OH  or water molecule  HO  as the fourth ligand.The structure of the active site allows for the efficient catalysis of the hydration of carbon dioxide  CO  to bicarbonate  HCO  through a two-step mechanism:1. Nucleophilic attack: The zinc-bound hydroxide ion acts as a nucleophile and attacks the carbon atom of CO, which is a good electrophile. This leads to the formation of a zinc-bound bicarbonate ion  Zn-HCO .2. Proton transfer: A nearby residue, typically a glutamate  Glu106 in human carbonic anhydrase II , acts as a proton shuttle, facilitating the transfer of a proton from a water molecule to the zinc-bound bicarbonate ion. This results in the release of the bicarbonate ion  HCO  from the active site and the binding of a new water molecule to the zinc ion, regenerating the active form of the enzyme.The specific arrangement of the zinc ion and its ligands in the active site allows for the proper orientation of the reactants and stabilization of the transition states, thus enabling the efficient catalysis of the hydration of CO to HCO. The zinc ion plays a crucial role in activating the water molecule by polarizing the O-H bond, making the hydroxide ion a stronger nucleophile. Additionally, the zinc ion helps to stabilize the negative charge on the oxygen atom of the bicarbonate ion during the reaction.

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