Electrostatic Effect on Electron Transfer at the Active Site of Heme Peroxidases: A Comparative Molecular Orbital Study on Cytochrome C Peroxidase and Ascorbate Peroxidase

The Journal of Physical Chemistry B ◽

10.1021/jp981765k ◽

1999 ◽

Vol 103 (1) ◽

pp. 227-233 ◽

Author(s):

Dóra K. Menyhárd ◽

Gábor Náray-Szabó

Keyword(s):

Electron Transfer ◽

Cytochrome C ◽

Molecular Orbital ◽

Ascorbate Peroxidase ◽

Active Site ◽

Cytochrome C Peroxidase ◽

Molecular Orbital Study ◽

Orbital Study ◽

Electrostatic Effect ◽

Heme Peroxidases

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An ab initio molecular orbital study of a binuclear dioxygen complex as a model of the binuclear active site in cytochrome c oxidase

Chemical Physics Letters ◽

10.1016/s0009-2614(98)00924-5 ◽

1998 ◽

Vol 294 (6) ◽

pp. 459-467 ◽

Author(s):

Yasunori Yoshioka ◽

Shigehiro Kubo ◽

Kizashi Yamaguchi ◽

Isao Saito

Keyword(s):

Cytochrome C ◽

Ab Initio ◽

Cytochrome C Oxidase ◽

Molecular Orbital ◽

Active Site ◽

Molecular Orbital Study ◽

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Molecular orbital study of proton transfer energetics in the active site of papain by using methanethiol-imidazole-formic acid complex as a model.

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.29.918 ◽

1981 ◽

Vol 29 (4) ◽

pp. 918-925 ◽

Author(s):

HIDEAKI UMEYAMA ◽

SETSUKO NAKAGAWA

Keyword(s):

Proton Transfer ◽

Formic Acid ◽

Molecular Orbital ◽

Active Site ◽

Acid Complex ◽

Transfer Energetics ◽

Molecular Orbital Study ◽

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Length-dependence of intramolecular electron transfer in σ-bonded rigid molecular rods: an ab initio molecular orbital study

Chemical Physics Letters ◽

10.1016/s0009-2614(01)01349-5 ◽

2002 ◽

Vol 351 (3-4) ◽

pp. 302-310 ◽

Author(s):

Ranjit Pati ◽

Shashi P. Karna

Keyword(s):

Electron Transfer ◽

Ab Initio ◽

Molecular Orbital ◽

Intramolecular Electron Transfer ◽

Length Dependence ◽

Molecular Orbital Study ◽

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The molecular orbital study on the role of hydrogen bonding system in the active site of serine proteases.

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.28.1342 ◽

1980 ◽

Vol 28 (4) ◽

pp. 1342-1344 ◽

Author(s):

SETSUKO NAKAGAWA ◽

HIDEAKI UMEYAMA ◽

TAKAKO KUDO

Keyword(s):

Hydrogen Bonding ◽

Molecular Orbital ◽

Active Site ◽

Serine Proteases ◽

Bonding System ◽

Molecular Orbital Study ◽

Orbital Study ◽

Hydrogen Bonding System

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Cytochrome c peroxidase binds two molecules of cytochrome c: Evidence for a low-affinity, electron-transfer-active site on cytochrome c peroxidase

Biochemistry ◽

10.1021/bi00091a041 ◽

1993 ◽

Vol 32 (40) ◽

pp. 10848-10865 ◽

Author(s):

Eric D. A. Stemp ◽

Brian M. Hoffman

Keyword(s):

Electron Transfer ◽

Cytochrome C ◽

Active Site ◽

Cytochrome C Peroxidase

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Molecular orbital study of the effects of ionic amino acid residues on proton transfer energetics in the active site of carboxypeptidase a

Chemical Physics Letters ◽

10.1016/0009-2614(81)80451-4 ◽

1981 ◽

Vol 81 (3) ◽

pp. 503-507 ◽

Author(s):

Setsuko Nakagawa ◽

Hideaki Umeyama

Keyword(s):

Proton Transfer ◽

Molecular Orbital ◽

Active Site ◽

Amino Acid Residues ◽

Carboxypeptidase A ◽

Transfer Energetics ◽

Molecular Orbital Study ◽

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An ab initio molecular orbital study of solvent effect on electron transfer in gas-phase cluster

The Journal of Physical Chemistry ◽

10.1021/j100339a074 ◽

1989 ◽

Vol 93 (2) ◽

pp. 932-936 ◽

Author(s):

Katsuhisa Ohta ◽

Osamu Okada ◽

Takamitsu Yoshida

Keyword(s):

Electron Transfer ◽

Solvent Effect ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

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Active-site ?-helix in papain and the stability of the ion pair RS? �� ImH+.Ab initio molecular orbital study

International Journal of Quantum Chemistry ◽

10.1002/qua.560170407 ◽

1980 ◽

Vol 17 (4) ◽

pp. 651-671 ◽

Author(s):

P. Th. van Duijnen ◽

B. Th. Thole ◽

Ria Broer ◽

W. C. Nieuwpoort

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Active Site ◽

Ion Pair ◽

Molecular Orbital Study ◽

Orbital Study ◽

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A molecular orbital study of the reaction catalysed by the enzyme adenosine kinase and its active site

Journal of Theoretical Biology ◽

10.1016/0022-5193(73)90232-4 ◽

1973 ◽

Vol 38 (1) ◽

pp. 169-179 ◽

Author(s):

José Kaneti

Keyword(s):

Molecular Orbital ◽

Active Site ◽

Adenosine Kinase ◽

Molecular Orbital Study ◽

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Molecular orbital study on the internal reorganization energy in intramolecular electron transfer reactions

Journal of Photochemistry and Photobiology A Chemistry ◽

10.1016/s1010-6030(98)00449-3 ◽

1999 ◽

Vol 121 (1) ◽

pp. 1-6 ◽

Author(s):

Xiao-dong Zhang ◽

Yan-ni Wang ◽

Jian-xin Guo ◽

Qi-yuan Zhang

Keyword(s):

Electron Transfer ◽

Molecular Orbital ◽

Reorganization Energy ◽

Transfer Reactions ◽

Intramolecular Electron Transfer ◽

Electron Transfer Reactions ◽

Molecular Orbital Study ◽

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