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Theoretical studies on the mechanism of the proton-transfer-coupled electron transfer reactions between menaquinone Q(A) and ubiquinone Q(B) in the bacterial photosynthetic reaction center of Rhodopseudomona viridis
Ma, SH; Xu, H; Zhang, RB; Qu, ZW; Zhang, XK; Zhang, QY
2002-12-01
Source PublicationACTA BOTANICA SINICA
ISSN0577-7496
Volume44Issue:12Pages:1409-1417
AbstractThe mechanism of the proton-transfer-coupled electron transfer ( PT-ET) reactions between the menaquinone Q(A)(MQ(1)) and ubiquinone Q(B)(UQ(1)) in the bacterial photosynthetic reaction center of Rhodopseudonwna viridis was studied by using the B3LYP/6-31G(d) method. The changes of standard Gibbs free energy DeltaG(0) of all possible reactions followed the ET reaction (1) were calculated. The results indicated that: (I) according to the DeltaG(0) values of corresponding reactions, UQ(1) could not accept two electrons from MQ(1)(-) continually without the coupled proton transfer reactions. Because of DeltaG(2b)(0)much less than0, Delta(3b)(0)much less than0 and DeltaG(4b)(0)much less than0, the corresponding PT-ET reactions could take place along with reactions (2b), (3b) and (4b) sequentially; (2) on the gaseous condition, the first and second transferred protons ( H+ (1) and H+ (2)) from the surrounding amino acid residues or water molecules will combine with the oxygen No. 7 and oxygen No. 8 of UQ1, respectively. On the condition of protein surroundings (by SCRF model, epsilon = 4. 0), the results are converse but the energy difference between the combination of H+ (1) and H+ (2) with UQ(1)(-) is quite small. The difference of DeltaG(0) values between the corresponding reactions in gaseous surroundings and the SCRF model is not significant; (3) the PT-ET reactions between MQ(1)(-) and UQ(1)(-) should he as follows: MQ(1)(-) + UQ(1) --> MQ(1) + UQ(1)(-) (1)
KeywordRhodopseudomena Viridis Electron Transfer Proton Transfer q(a) And q(b) Dft
Indexed BySCI
Language英语
WOS IDWOS:000180075800004
PublisherSCIENCE CHINA PRESS
Citation statistics
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/79598
Collection中国科学院化学研究所
Corresponding AuthorZhang, QY
AffiliationChinese Acad Sci, Inst Chem, Ctr Mol Sci, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Ma, SH,Xu, H,Zhang, RB,et al. Theoretical studies on the mechanism of the proton-transfer-coupled electron transfer reactions between menaquinone Q(A) and ubiquinone Q(B) in the bacterial photosynthetic reaction center of Rhodopseudomona viridis[J]. ACTA BOTANICA SINICA,2002,44(12):1409-1417.
APA Ma, SH,Xu, H,Zhang, RB,Qu, ZW,Zhang, XK,&Zhang, QY.(2002).Theoretical studies on the mechanism of the proton-transfer-coupled electron transfer reactions between menaquinone Q(A) and ubiquinone Q(B) in the bacterial photosynthetic reaction center of Rhodopseudomona viridis.ACTA BOTANICA SINICA,44(12),1409-1417.
MLA Ma, SH,et al."Theoretical studies on the mechanism of the proton-transfer-coupled electron transfer reactions between menaquinone Q(A) and ubiquinone Q(B) in the bacterial photosynthetic reaction center of Rhodopseudomona viridis".ACTA BOTANICA SINICA 44.12(2002):1409-1417.
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