Theoretical Vibrational Spectra of Reaction Intermediates in the Active Site of Guanosine Triphosphate Binding Proteins
B. L. Grigorenko
1, 2
,
A. V. Nemukhin
1, 2
Publication type: Journal Article
Publication date: 2020-05-07
scimago Q4
wos Q4
SJR: 0.204
CiteScore: 1.2
Impact factor: 0.8
ISSN: 00360244, 1531863X
Physical and Theoretical Chemistry
Abstract
Abstract Calculations of the structures and energies of intermediates of the enzymatic hydrolysis of guanosine triphosphate, performed by means of quantum mechanics and molecular mechanics (QM/MM), suggest a mechanism for chemical transformations of reaction particles in an active site that assumes an amide-imide tautomerism of the side chain of glutamine residue. Positions of vibrational bands and a corresponding band shift upon isotopic substitution 14 N → 15 N in the side chain of glutamine residue in the active site are predicted for experimental verification of the given mechanism via IR spectroscopy.
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Grigorenko B. L. et al. Theoretical Vibrational Spectra of Reaction Intermediates in the Active Site of Guanosine Triphosphate Binding Proteins // Russian Journal of Physical Chemistry A. 2020. Vol. 94. No. 5. pp. 914-918.
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Grigorenko B. L., Nemukhin A. V. Theoretical Vibrational Spectra of Reaction Intermediates in the Active Site of Guanosine Triphosphate Binding Proteins // Russian Journal of Physical Chemistry A. 2020. Vol. 94. No. 5. pp. 914-918.
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TY - JOUR
DO - 10.1134/S0036024420050088
UR - https://link.springer.com/10.1134/S0036024420050088
TI - Theoretical Vibrational Spectra of Reaction Intermediates in the Active Site of Guanosine Triphosphate Binding Proteins
T2 - Russian Journal of Physical Chemistry A
AU - Grigorenko, B. L.
AU - Nemukhin, A. V.
PY - 2020
DA - 2020/05/07
PB - Pleiades Publishing
SP - 914-918
IS - 5
VL - 94
SN - 0036-0244
SN - 1531-863X
ER -
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@article{2020_Grigorenko,
author = {B. L. Grigorenko and A. V. Nemukhin},
title = {Theoretical Vibrational Spectra of Reaction Intermediates in the Active Site of Guanosine Triphosphate Binding Proteins},
journal = {Russian Journal of Physical Chemistry A},
year = {2020},
volume = {94},
publisher = {Pleiades Publishing},
month = {may},
url = {https://link.springer.com/10.1134/S0036024420050088},
number = {5},
pages = {914--918},
doi = {10.1134/S0036024420050088}
}
Cite this
MLA
Copy
Grigorenko, B. L., et al. “Theoretical Vibrational Spectra of Reaction Intermediates in the Active Site of Guanosine Triphosphate Binding Proteins.” Russian Journal of Physical Chemistry A, vol. 94, no. 5, May. 2020, pp. 914-918. https://link.springer.com/10.1134/S0036024420050088.
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