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Entry M0276    1.7.99.4    nitrate reductase

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Step 02

The nitrate ligand undergoes heterolytic dissociation from molybdenum to form the nitrite product. The oxygen ligand is left behind at the metal centre.

GIF of Reaction Step M0276.stg02


Comment: Theoretical studies have shown an inner sphere mechanism to be more favourable than a potential second sphere alternative [3].



Mechanisms

Redox
Intramolecular Elimination

Mechanism Components

Bond Cleavage
Bond Order Change
Intermediate Formation
Overall Product Formed

Amino acids involved in the reaction step.

Amino Acid Location of Function Activity Function
Met153A Side Chain spectator Electrostatic Stabiliser
Polar Non-polar interaction
Steric Role
Lys56A Side Chain spectator Hydrogen Bond Donor
Cys152 Side Chain reactant Activator
Electrostatic Stabiliser
Covalently Attached
Gly383A Main Chain Amide spectator Hydrogen Bond Acceptor
Electrostatic Stabiliser
Met346A Side Chain spectator Electrostatic Stabiliser
Polar Non-polar interaction
Steric Role
Glu384A Side Chain spectator Hydrogen Bond Acceptor
Electrostatic Stabiliser

Organic Cofactors involved in the reaction step

Cofactor Type Cofactor Activity Function
Molybdopterin guanosine dinucleotide MGD1803A spectator Electrostatic Stabiliser
Hydrogen Bond Acceptor
Metal Ligand
Molybdopterin guanosine dinucleotide MGD1804A spectator Electrostatic Stabiliser
Hydrogen Bond Donor
Metal Ligand

Metal Cofactors involved in Step 02

Metal Type Metal Identity Chain Activity Function
iron SF4 1801 A spectator Not Active
molybdenum MO 1802 A reactant Substrate Binding
Two Electron Donor
Promotes Heterolytic Reactions
iron HEC 1128 B spectator Not Active
iron HEC 1129 B spectator Not Active

Reactive Centre

Bonds Formed Bonds Cleaved Bonds Changed in Order Atom Types Involved
None
N-O
The Mo-O bond changes from a single to double bond
Mo
N
O

View similar reactions in MACiE.


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