Photoinduced electron transfer from aromatic amino acids to the excited isoalloxazine in flavin mononucleotide binding protein. Is the rate in the inverted region of donor-acceptor distance not real?

被引：12

作者：

Nunthaboot, Nadtanet ^{[1
,2
]}

Lugsanangarm, Kiattisak ^{[3
]}

Nueangaudom, Arthit ^{[4
]}

Pianwanit, Somsak ^{[4
]}

Kokpol, Sirirat ^{[4
]}

Tanaka, Fumio ^{[4
,5
]}

Taniguchi, Seiji ^{[5
]}

Chosrowjan, Haik ^{[5
]}

Nakanishi, Takeshi ^{[6
]}

Kitamura, Masaya ^{[6
]}

机构：

[1] Mahasarakham Univ, Dept Chem, Fac Sci, Maha Sarakham 44150, Thailand

[2] Mahasarakham Univ, Ctr Excellence Innovat Chem, Fac Sci, Maha Sarakham 44150, Thailand

[3] Bansomdej Chaopraya Rajabhat Univ, Fac Sci & Technol, Program Sci, Fac Educ,Program Chem, Bangkok 10600, Thailand

[4] Chulalongkorn Univ, Dept Chem, Fac Sci, Bangkok 10330, Thailand

[5] Inst Laser Technol, Div Laser Biochem, Osaka 5500004, Japan

[6] Osaka City Univ, Grad Sch Engn, Dept Appl Chem & Bioengn, Osaka 5588585, Japan

来源：

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY | 2016年 / 326卷

基金：

日本学术振兴会;

关键词：

Wild type FMN binding protein dimer; Photoinduced electron transfer; Ultrafast rate; Inverted region of donor-acceptor distance; Net electrostatic energy; Isoalloxazine; PYRANOSE; 2-OXIDASE; CHARGE SEPARATION; ION-PAIRS; ENERGY; PHOTORECEPTOR; EXPRESSION; FLAVODOXIN; CHEMISTRY; DYNAMICS; STATES;

D O I：

10.1016/j.jphotochem.2016.04.005

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Mechanisms of photoinduced electron transfer (ET) from tryptophanes 32 and 106 in subunits A and B (Trp32A, Trp32B, Trp106A and Trp106B) of wild type flavin mononucleotide binding protein (FBP) dimer were studied through relations of the logarithmic ET rate (in Rate) vs the donor-acceptor distance (Rc). The sum (GT) of standard free energy gap (SFEG) between the products and reactants, electrostatic energy (ESDA) between the photo-products and solvation reorganization energy (SROE) and electrostatic energy (NetES) between the photo-products and ionic groups inside the protein were numerically determined for the all donors with atomic coordinates obtained by molecular dynamic simulation. The GT values of Trp32A and Trp32B displayed always negative in the entire Rc range, which predicts that ET rate becomes slower as the Rc shorter. The reason of negative GT values in Trp32A and Trp32B were numerically elucidated with the mean values of SFEG, ESDA, SROE, and NetES. (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：60 / 68

页数：9

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