Transition state stabilization and substrate strain in enzyme catalysis: ab initio QM/MM modelling of the chorismate mutase reaction

2004 ◽  
Vol 2 (7) ◽  
pp. 968 ◽  
Author(s):  
Kara E. Ranaghan ◽  
Lars Ridder ◽  
Borys Szefczyk ◽  
W. Andrzej Sokalski ◽  
Johannes C. Hermann ◽  
...  
Keyword(s):  
Transition State ◽  
Ab Initio ◽  
Enzyme Catalysis ◽  
Chorismate Mutase ◽  
Transition State Stabilization ◽  
Substrate Strain

Insights into enzyme catalysis from QM/MM modelling: transition state stabilization in chorismate mutase

2003 ◽  
Vol 101 (17) ◽  
pp. 2695-2714 ◽  
Author(s):  
KARA E. RANAGHAN ◽  
LARS RIDDER ◽  
BORYS SZEFCZYK ◽  
W. ANDRZEJ SOKALSKI ◽  
JOHANNES C. HERMANN ◽  
...  
Keyword(s):  
Transition State ◽  
Enzyme Catalysis ◽  
Chorismate Mutase ◽  
Transition State Stabilization

Contributions of Conformational Compression and Preferential Transition State Stabilization to the Rate Enhancement by Chorismate Mutase

2003 ◽  
Vol 125 (23) ◽  
pp. 6892-6899 ◽  
Author(s):  
Cristiano Ruch Werneck Guimarães ◽  
Matthew P. Repasky ◽  
Jayaraman Chandrasekhar ◽  
Julian Tirado-Rives ◽  
William L. Jorgensen
Keyword(s):  
Transition State ◽  
Chorismate Mutase ◽  
Rate Enhancement ◽  
Transition State Stabilization

scholarly journals Exploring water as building bricks in enzyme engineering

2015 ◽  
Vol 51 (97) ◽  
pp. 17221-17224 ◽  
Author(s):  
Peter Hendil-Forssell ◽  
Mats Martinelle ◽  
Per-Olof Syrén
Keyword(s):  
Transition State ◽  
Enzyme Catalysis ◽  
De Novo ◽  
Enzyme Engineering ◽  
Transition State Stabilization

A de novo designed water pattern is used to achieve a 34-fold accelerated promiscuous enzyme catalysis by efficient transition state stabilization.

scholarly journals Electrostatic transition state stabilization rather than reactant destabilization provides the chemical basis for efficient chorismate mutase catalysis

2014 ◽  
Vol 111 (49) ◽  
pp. 17516-17521 ◽  
Author(s):  
Daniel Burschowsky ◽  
André van Eerde ◽  
Mats Ökvist ◽  
Alexander Kienhöfer ◽  
Peter Kast ◽  
...  
Keyword(s):  
Transition State ◽  
Chorismate Mutase ◽  
Chemical Basis ◽  
Transition State Stabilization

scholarly journals The effect of MM polarization on the QM/MM transition state stabilization: application to chorismate mutase

2008 ◽  
Vol 106 (12) ◽  
pp. 1511-1515 ◽  
Author(s):  
C. J. R. Illingworth ◽  
K. E. Parkes ◽  
C. R. Snell ◽  
S. Marti ◽  
V. Moliner ◽  
...  
Keyword(s):  
Transition State ◽  
Chorismate Mutase ◽  
Transition State Stabilization
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