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Entry M0107    1.2.99.2    carbon-monoxide dehydrogenase (acceptor)

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Step 05

Water initiates a nucleophilic attack on the Mo(IV) centre, displacing the negatively charged oxygen of the carboxylate group in a substitution reaction, which initiates an elimination of the sulfur group, to reform the bridging sulfur dianion and the formation of carbon dioxide, which decoordinates from the metal centre.

GIF of Reaction Step M0107.stg05



Mechanisms

Bimolecular Nucleophilic Substitution
Unimolecular Elimination by the Conjugate Base
Intramolecular Nucleophilic Substitution

Mechanism Components

Overall Reactant Used
Bond Formation
Bond Cleavage
Bond Order Change
Metal Coordination
Metal De-coordination
Intermediate Collapse
Intermediate Formation
Overall Product Formed
Decarboxylation

Amino acids involved in the reaction step.

Amino Acid Location of Function Activity Function
Glu763 Side Chain spectator Not Active
Cys388 Side Chain spectator Metal Ligand
Hydrogen Bond Acceptor
Electrostatic Stabiliser

Organic Cofactors involved in the reaction step

Cofactor Type Cofactor Activity Function
FAD FAD3932 spectator Not Active

Metal Cofactors involved in Step 05

Metal Type Metal Identity Chain Activity Function
iron FES 3907 x spectator Not Active
iron FES 3908 x spectator Not Active
copper CUB 3921 x spectator Activator
Substrate Binding
molybdenum CUB 3921 x spectator Substrate Binding

Reactive Centre

Bonds Formed Bonds Cleaved Bonds Changed in Order Atom Types Involved
Cu-S
Mo-O
C-S
Cu-O
Mo-O
The C-O bond changes from a single to double bond
C
Cu
Mo
O
S

View similar reactions in MACiE.


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