Importance of the lactate dehydrogenase quaternary structure in theoretical calculations.
Using the example of lactate dehydrogenase, we show that enzyme quaternary structure has an important influence on the structure of the active site and that models that comprise all amino acids in the vicinity of an active site, but are missing this structural information, can lead to incorrect results. We also show that binding isotope effects are very sensitive to the geometric parameters, and thus one should be very cautious when interpreting results obtained with models that are too coarse. In terms of the type of hydrogen bonds, our results indicate that binding isotope effects are pronounced only when a hydrogen bond exhibits some covalent character.
Swiderek
Katarzyna
K
Institute of Applied Radiation Chemistry, Technical University of Lodz, ulica Zeromskiego 116, 90-924 Lodz, Poland.
Paneth
Piotr
P
D020134:Catalytic Domain; D006860:Hydrogen Bonding; D007770:L-Lactate Dehydrogenase / Q000737:chemistry*; D008958:Models, Molecular; D020836:Protein Structure, Quaternary
D007770:L-Lactate Dehydrogenase