Multiple high-level QM/MM reaction paths demonstrate transition-state stabilization in chorismate mutase: correlation of barrier height with transition-state stabilization.
Multiple profiles for the reaction from chorismate to prephenate in the enzyme chorismate mutase calculated with hybrid density functional combined quantum mechanics/molecular mechanics methods (B3LYP/6-31G(d)-CHARMM27) agree well with experiment, and provide direct evidence of transition-state stabilization by this important enzyme, which is at the centre of current debates about the nature of enzyme catalysis.
Claeyssens
Frederik
F
School of Chemistry, University of Bristol, Bristol, UK.
Ranaghan
Kara E
KE
Manby
Frederick R
FR
Harvey
Jeremy N
JN
Mulholland
Adrian J
AJ
D002826:Chorismate Mutase / Q000378:metabolism*; D015394:Molecular Structure; D044367:Phase Transition
D002826:Chorismate Mutase