Organism | UniProt | Comment | Textmining |
---|---|---|---|
Escherichia coli | P77072 | - |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
additional information | quantum chemical computations of the reaction steps leading to the removal of Hg2+ from MerB. The most straightforward pathway proceeds through proton transfer from the attacking thiol to Cys159, leading to its removal from the mercury coordination sphere, followed by a slower attack of a second thiol, which removes Cys96. The other pathway involves Asp99 in an accessory role and affords a lower activation enthalpy, around 14 kcal/mol. Kinetic simulation strongly suggests that in vivo the thiolate-only pathway is operative, and the Asp-assisted pathway is prevented by steric factors | Escherichia coli | ? | - |
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