Enzyme kinetic parameters can differ between different species and isoenzymes for the same catalysed reaction. Computational approaches to calculate enzymatic kinetic parameters from the three-dimensional structures of proteins will be reviewed briefly here. Enzyme kinetic parameters may be derived by modelling and simulating the rate-determining process. An alternative, approximate, but more computationally efficient approach is the comparison of molecular interaction fields for experimentally characterized enzymes and those for which parameters should be determined. A correlation between differences in interaction fields and experimentally determined kinetic parameters can be used to determine parameters for orthologous enzymes from other species. The estimation of enzymatic kinetic parameters is an important step in setting up mathematical models of biochemical pathways in systems biology.
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February 2008
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Conference Article|
January 22 2008
Calculating enzyme kinetic parameters from protein structures
Matthias Stein;
Matthias Stein
1
*Molecular and Cellular Modeling Group, EML Research gGmbH, Schloss-Wolfsbrunnenweg 33, 69118 Heidelberg, Germany
1To whom correspondence should be addressed (email matthias.stein@eml-r.villa-bosch.de).
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Razif R. Gabdoulline;
Razif R. Gabdoulline
*Molecular and Cellular Modeling Group, EML Research gGmbH, Schloss-Wolfsbrunnenweg 33, 69118 Heidelberg, Germany
†BIOMS, University of Heidelberg, Im Neuenheimer Feld 368, 69120 Heidelberg, Germany
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Rebecca C. Wade
Rebecca C. Wade
*Molecular and Cellular Modeling Group, EML Research gGmbH, Schloss-Wolfsbrunnenweg 33, 69118 Heidelberg, Germany
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Publisher: Portland Press Ltd
Received:
September 14 2007
Online ISSN: 1470-8752
Print ISSN: 0300-5127
© The Authors Journal compilation © 2008 Biochemical Society
2008
Biochem Soc Trans (2008) 36 (1): 51–54.
Article history
Received:
September 14 2007
Citation
Matthias Stein, Razif R. Gabdoulline, Rebecca C. Wade; Calculating enzyme kinetic parameters from protein structures. Biochem Soc Trans 1 February 2008; 36 (1): 51–54. doi: https://doi.org/10.1042/BST0360051
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