Literature summary for 4.99.1.2 extracted from

Silva, P.; Rodrigues, V.
Mechanistic pathways of mercury removal from the organomercurial lyase active site (2015), PeerJ, 2015, e1127 .

Search for more literature for 4.99.1.2

Organism

Organism	UniProt	Comment	Textmining
Escherichia coli	P77072	-	-

Substrates and Products (Substrate)

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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Release 2023.1 (January 2023)