Statistical mechanical integral equation approach to reveal the solvation effect on hydrolysis free energy of ATP and its analogue

Norio Yoshida, Fumio Hirata

Research output: Chapter in Book/Report/Conference proceedingChapter

Abstract

Investigations of the hydrolysis reactions of adenosine triphosphate (ATP) and pyrophosphate in solution by the three-dimensional reference interaction site model self-consistent field (3D-RISM-SCF) theory are briefly reviewed. The theory is applied to the four different charged states of pyrophosphate, for which experimental data of hydrolysis free energies are available. The results of the reaction free energy for all the four charged states are almost constant, -8 kcal/mol, in accord with the experimental results, but in marked contrast to the conventional view, or the high-energy P-O bond hypothesis. The theory is also applied to the hydrolysis reaction of ATP to clarify the molecular origin of the energy produced by the ATP hydrolysis.

Original languageEnglish
Title of host publicationThe Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery
PublisherSpringer Singapore
Pages69-85
Number of pages17
ISBN (Electronic)9789811084591
ISBN (Print)9789811084584
DOIs
Publication statusPublished - May 7 2018

Fingerprint

Solvation
Free energy
Integral equations
Hydrolysis
Adenosine Triphosphate
Adenosine Diphosphate

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Biochemistry, Genetics and Molecular Biology(all)

Cite this

Yoshida, N., & Hirata, F. (2018). Statistical mechanical integral equation approach to reveal the solvation effect on hydrolysis free energy of ATP and its analogue. In The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery (pp. 69-85). Springer Singapore. https://doi.org/10.1007/978-981-10-8459-1_5

Statistical mechanical integral equation approach to reveal the solvation effect on hydrolysis free energy of ATP and its analogue. / Yoshida, Norio; Hirata, Fumio.

The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery. Springer Singapore, 2018. p. 69-85.

Research output: Chapter in Book/Report/Conference proceedingChapter

Yoshida, N & Hirata, F 2018, Statistical mechanical integral equation approach to reveal the solvation effect on hydrolysis free energy of ATP and its analogue. in The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery. Springer Singapore, pp. 69-85. https://doi.org/10.1007/978-981-10-8459-1_5
Yoshida N, Hirata F. Statistical mechanical integral equation approach to reveal the solvation effect on hydrolysis free energy of ATP and its analogue. In The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery. Springer Singapore. 2018. p. 69-85 https://doi.org/10.1007/978-981-10-8459-1_5
Yoshida, Norio ; Hirata, Fumio. / Statistical mechanical integral equation approach to reveal the solvation effect on hydrolysis free energy of ATP and its analogue. The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery. Springer Singapore, 2018. pp. 69-85
@inbook{acd647ae191c47a69e24b7ee9b7ef1ea,
title = "Statistical mechanical integral equation approach to reveal the solvation effect on hydrolysis free energy of ATP and its analogue",
abstract = "Investigations of the hydrolysis reactions of adenosine triphosphate (ATP) and pyrophosphate in solution by the three-dimensional reference interaction site model self-consistent field (3D-RISM-SCF) theory are briefly reviewed. The theory is applied to the four different charged states of pyrophosphate, for which experimental data of hydrolysis free energies are available. The results of the reaction free energy for all the four charged states are almost constant, -8 kcal/mol, in accord with the experimental results, but in marked contrast to the conventional view, or the high-energy P-O bond hypothesis. The theory is also applied to the hydrolysis reaction of ATP to clarify the molecular origin of the energy produced by the ATP hydrolysis.",
author = "Norio Yoshida and Fumio Hirata",
year = "2018",
month = "5",
day = "7",
doi = "10.1007/978-981-10-8459-1_5",
language = "English",
isbn = "9789811084584",
pages = "69--85",
booktitle = "The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery",
publisher = "Springer Singapore",

}

TY - CHAP

T1 - Statistical mechanical integral equation approach to reveal the solvation effect on hydrolysis free energy of ATP and its analogue

AU - Yoshida, Norio

AU - Hirata, Fumio

PY - 2018/5/7

Y1 - 2018/5/7

N2 - Investigations of the hydrolysis reactions of adenosine triphosphate (ATP) and pyrophosphate in solution by the three-dimensional reference interaction site model self-consistent field (3D-RISM-SCF) theory are briefly reviewed. The theory is applied to the four different charged states of pyrophosphate, for which experimental data of hydrolysis free energies are available. The results of the reaction free energy for all the four charged states are almost constant, -8 kcal/mol, in accord with the experimental results, but in marked contrast to the conventional view, or the high-energy P-O bond hypothesis. The theory is also applied to the hydrolysis reaction of ATP to clarify the molecular origin of the energy produced by the ATP hydrolysis.

AB - Investigations of the hydrolysis reactions of adenosine triphosphate (ATP) and pyrophosphate in solution by the three-dimensional reference interaction site model self-consistent field (3D-RISM-SCF) theory are briefly reviewed. The theory is applied to the four different charged states of pyrophosphate, for which experimental data of hydrolysis free energies are available. The results of the reaction free energy for all the four charged states are almost constant, -8 kcal/mol, in accord with the experimental results, but in marked contrast to the conventional view, or the high-energy P-O bond hypothesis. The theory is also applied to the hydrolysis reaction of ATP to clarify the molecular origin of the energy produced by the ATP hydrolysis.

UR - http://www.scopus.com/inward/record.url?scp=85053985156&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85053985156&partnerID=8YFLogxK

U2 - 10.1007/978-981-10-8459-1_5

DO - 10.1007/978-981-10-8459-1_5

M3 - Chapter

AN - SCOPUS:85053985156

SN - 9789811084584

SP - 69

EP - 85

BT - The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery

PB - Springer Singapore

ER -