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Entry M0229    6.3.2.1    pantoate-beta-alanine ligase

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Step 02

The phosphate group of the pantoyl adenylate forms a hydrogen-bond with the amine group of the beta-alanine substrate, deprotonating it to make the beta-alanine a better nucleophile

GIF of Reaction Step M0229.stg02


Comment: The phosphate group of the pantoyl adenylate forms a hydrogen-bond with the amine group of the beta-alanine substrate. Thus, it is assumed that this is the group responsible for the deprotonation of the beta-alanine substrate.



Mechanisms

Proton Transfer

Mechanism Components

Bond Cleavage
Bond Formation

Amino acids involved in the reaction step.

Amino Acid Location of Function Activity Function
Ser196 Side Chain spectator Hydrogen Bond Donor
Electrostatic Stabiliser
Arg198 Side Chain spectator Hydrogen Bond Donor
Electrostatic Stabiliser
His44 Side Chain spectator van der Waals interaction
Hydrogen Bond Donor
Electrostatic Stabiliser
Ser197 Side Chain spectator Hydrogen Bond Donor
Electrostatic Stabiliser
His47 Side Chain spectator van der Waals interaction
Hydrogen Bond Donor
Electrostatic Stabiliser

Metal Cofactors involved in Step 02

Metal Type Metal Identity Chain Activity Function
magnesium MG 1001 _ spectator Not Present

Reactive Centre

Bonds Formed Bonds Cleaved Bonds Changed in Order Atom Types Involved
O-H
N-H
None
H
N
O

View similar reactions in MACiE.


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