Theoretical Study of the Phosphotriesterase Reaction Mechanism

Shi-Lu Chen; Wei-Hai Fang; Fahmi Himo

doi:10.1021/jp068500n

journal article Jan 25, 2007

Theoretical Study of the Phosphotriesterase Reaction Mechanism

Shi-Lu Chen

Wei-Hai Fang

Fahmi Himo

The Journal of Physical Chemistry B Vol. 111 No. 6 pp. 1253-1255 · American Chemical Society (ACS)

View at Publisher Save 10.1021/jp068500n

Topics

No keywords indexed for this article. Browse by subject →

References

26

[1]

Dumas D. P. J. Biol. Chem. (1989) 10.1016/s0021-9258(19)47164-0

[2]

Li W.-S. Bioorg. Med. Chem. (2001) 10.1016/s0968-0896(01)00113-4

[3]

Benning M. M. Biochemistry (1994) 10.1021/bi00254a008

[4]

High Resolution X-ray Structures of Different Metal-Substituted Forms of Phosphotriesterase from Pseudomonas diminuta,

Matthew M. Benning, Hyunbo Shim, Frank M. Raushel et al.

Biochemistry 2001 10.1021/bi002661e

[5]

Omburo G. A. J. Biol. Chem. (1992) 10.1016/s0021-9258(18)42207-7

[6]

Lewis V. E. Biochemistry (1988) 10.1021/bi00405a030

[7]

Aubert S. D. Biochemistry (2004) 10.1021/bi0497805

[8]

Ortiz-Hernández M. L. Fundam. Clin. Pharmacol. (2003) 10.1046/j.1472-8206.2003.00202.x

[9]

A new mixing of Hartree–Fock and local density-functional theories

Axel D. Becke

The Journal of Chemical Physics 1993 10.1063/1.464304

[10]

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke

The Journal of Chemical Physics 1993 10.1063/1.464913

[11]

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr

Physical Review B 1988 10.1103/physrevb.37.785

[12]

Benning M. M. Biochemistry (1995) 10.1021/bi00025a002

[13]

Koca J. J. Am. Chem. Soc. (2001) 10.1021/ja000439r

[14]

Krauss M. J. Chem. Inf. Comput. Sci. (2001) 10.1021/ci000046b

[15]

Krauss M. J. Phys. Chem. B (2002) 10.1021/jp025870c

[16]

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

Vincenzo Barone, Maurizio Cossi

The Journal of Physical Chemistry A 1998 10.1021/jp9716997

[17]

Cammi R. J. Phys. Chem. A (1999) 10.1021/jp991564w

[18]

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

A. Klamt, G. Schüürmann

J. Chem. Soc., Perkin Trans. 2 1993 10.1039/p29930000799

[19]

Quantum Mechanical Continuum Solvation Models

Jacopo Tomasi, Benedetta Mennucci, Roberto Cammi

Chemical Reviews 2005 10.1021/cr9904009

[20]

Kaminskaia N. V. J. Inorg. Chem. (2000) 10.1021/ic000169d

[21]

Jackson C. Biochim. Biophys. Acta (2005) 10.1016/j.bbapap.2005.06.008

[22]

Caldwell S. R. J. Am. Chem. Soc. (1991) 10.1021/ja00002a083

[23]

Caldwell S. R. Biochemistry (1991) 10.1021/bi00244a011

[24]

Mode of Action of Bi- and Trinuclear Zinc Hydrolases and Their Synthetic Analogues

Jennie Weston

Chemical Reviews 2005 10.1021/cr020057z

[25]

Seibert C. M. Biochemistry (2005) 10.1021/bi047326v

[26]

Frisch M. J. (2004)

Cited By

110

Benchmarking Density Functional Theory Methods for Metalloenzyme Reactions: The Introduction of the MME55 Set

Dominique A. Wappett, Lars Goerigk · 2023

Journal of Chemical Theory and Comp...

Exploiting parameter space in MOFs: a 20-fold enhancement of phosphate-ester hydrolysis with UiO-66-NH2

Michael J. Katz, Su-Young Moon · 2015

Chemical Science

Metrics

110

Citations

26

References

Details

Published: Jan 25, 2007
Vol/Issue: 111(6)
Pages: 1253-1255

Authors

S

Shi-Lu Chen

Department of Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, SE-10691 Stockholm, Sweden, and School of Chemistry, Beijing Normal University, Beijing 100875, People's Republic of China

W

Wei-Hai Fang

Department of Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, SE-10691 Stockholm, Sweden, and School of Chemistry, Beijing Normal University, Beijing 100875, People's Republic of China

F

Fahmi Himo

Department of Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, SE-10691 Stockholm, Sweden, and School of Chemistry, Beijing Normal University, Beijing 100875, People's Republic of China

Cite This Article

Shi-Lu Chen, Wei-Hai Fang, Fahmi Himo (2007). Theoretical Study of the Phosphotriesterase Reaction Mechanism. The Journal of Physical Chemistry B, 111(6), 1253-1255. https://doi.org/10.1021/jp068500n

Theoretical Study of the Phosphotriesterase Reaction Mechanism

You May Also Like