Quantum chemical studies on proteins in the reaction center of Rhodobacter sphaeroides
文献类型：期刊论文
| 作者 | Xu, H; Ma, SH; Shen, LL; Zhang, XD; Zhang, XK; Zhang, QY |
| 刊名 | ACTA BOTANICA SINICA
 |
| 出版日期 | 2001-06-01 |
| 卷号 | 43期号:6页码:565-570 |
| 关键词 | Photosynthetic Reaction Center Rhodobacter Sphaeroides Electronic Structure Of Protein Ab Initio Extended Negative Factor Counter Method (Enfc) |
| ISSN号 | 0577-7496 |
| 英文摘要 | The electronic structure of protein chains L and M in photosynthetic reaction center (PRC) of Rhodobacter sphaeroides (Van Niel) Imhoff, Truper et Pfennig) was studied by using the Overlapping Dimer Approximation method and the Extended Negative Factor Counter method at ab initio level. The result indicated that: (1) Amino acid residues, the molecular orbitals of which composed the main components of frontier orbitals of protein chain L (M), are located at the random coil areas of chain L (alpha helix areas of chain M). Since the random coil is flexible and more easy to change its conformation in the electron transfer process and to reduce the energy of the system, and the structure of the alpha helix is reletively stable, this difference might be one of the causes for the electron transfer in photosynthetic reaction center (PRC) only takes place along the L branch. (2) The His residues which axially coordinated to the "special pair" P and accessory chlorophyll molecules (ABChls) are essentially important for the E-LUMO levels of P and ABChl. But, the corresponding molecular orbitals of these His residues do not appear in the composition of frontier orbitals of protein chains. It means that the interaction between pigment molecules and protein chains do not influence the contribution to the frontier orbitals of protein chains explicitly, but influences the corresponding E-LUMO levels significantly. |
| 语种 | 英语 |
| WOS记录号 | WOS:000169772700003 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/77945]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zhang, QY |
| 作者单位 | Chinese Acad Sci, Inst Chem, Ctr Mol Sci, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, H,Ma, SH,Shen, LL,et al. Quantum chemical studies on proteins in the reaction center of Rhodobacter sphaeroides[J]. ACTA BOTANICA SINICA,2001,43(6):565-570. |
| APA | Xu, H,Ma, SH,Shen, LL,Zhang, XD,Zhang, XK,&Zhang, QY.(2001).Quantum chemical studies on proteins in the reaction center of Rhodobacter sphaeroides.ACTA BOTANICA SINICA,43(6),565-570. |
| MLA | Xu, H,et al."Quantum chemical studies on proteins in the reaction center of Rhodobacter sphaeroides".ACTA BOTANICA SINICA 43.6(2001):565-570. |
入库方式： OAI收割
来源：化学研究所
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