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Insights in Enzyme Research
ISSN: 2573-4466
E u r o S c i C o n C o n g r e s s o n
Enzymology and
Molecular Biology
A u g u s t 1 3 - 1 4 , 2 0 1 8
P a r i s , F r a n c e
Enzymology 2018
M
olecular Recognition plays a crucial role in an enzymatic reaction, as is
implied in the Michaelis-Menten equation for the reaction rate. In order for
the reaction to take place, all the players, substrates, ions, and/or co-enzymes,
should be bound at proper positions in the active site of protein. Such a process
is governed essentially by two physicochemical properties, the free energy
change associated with binding of the ligands to active sites, and the structural
fluctuation of protein. It is now widely appreciated that water plays essential
roles in the both properties, as is represented by the
desolvation free energy
. A
great progress has been made in theories of the molecular recognition during
the past decade that features use of statistical mechanics of liquids, referred
to as 3D-RISM-KH. The theory enables us to find small ligands, such as water
molecules, ions, and drug compounds, located at an active site of protein. It
also provides the solvation thermodynamics at molecular level, such as the
desolvation free energy, that is crucial for the evaluation of binding affinity of a
ligand to protein. The theory has been applied successfully to variety processes
of molecular recognition, including molecular channels, drug screening, and so
on. Recently, we have applied the method to a restriction enzyme,
EcoRV
, which
catalyzes the hydrolysis reaction of DNA. The method has been employed to
locate the position of water molecules and magnesium ions at the active site,
which play crucial roles in the enzymatic reaction.
Biography
F Hirata has completed his PhD in 1977 from Hokkaido
University, and did his Postdoctoral studies at SUNY, UT and
Rutgers in USA. He is a Professor Emeritus of IMS in Japan. He
has published more than 250 papers in reputed journals.
fumiothinksnowhirata@gmail.comMolecular recognition as a crucial step in enzymatic reactions:
3D-RISM/KH study
F Hirata
Toyota Physical and Chemical Research Institute, Toyota, Riken, Japan
F Hirata, Insights Enzyme Res 2018, Volume 2
DOI: 10.21767/2573-4466-C1-002