Guo Hao, Zheng Chong, Gaillard Elizabeth R
Department of Chemistry and Biochemistry, Northern Illinois University, DeKalb, IL 60115, USA.
J Theor Biol. 2006 Sep 7;242(1):117-22. doi: 10.1016/j.jtbi.2006.02.005. Epub 2006 Mar 23.
The RPE65 protein is located in the retinal pigment epithelial cells and plays an important role in the visual cycle. Although numerous experimental results demonstrate that it participates in the visual cycle, its detailed structure and function are not clear yet because of difficulties in isolation and crystallization. This paper describes a computational modeling study to propose a three-dimensional (3D) structure and suggest a possible mechanism for the function of the protein. The 3D-PSSM server is used to obtain the preliminary 3D structural model of the RPE65 protein. The coordinates of the side chains are obtained from the SCWRL program. Finally, two software packages, Jackal and Tinker with the CHARMM force field are used to fix and refine the preliminary structural model. Based on the obtained 3D structural model, a possible mechanism for the protein function is discussed.
RPE65蛋白位于视网膜色素上皮细胞中，在视觉循环中起重要作用。尽管大量实验结果表明它参与视觉循环，但由于分离和结晶困难，其详细结构和功能尚不清楚。本文描述了一项计算建模研究，以提出RPE65蛋白的三维（3D）结构，并提出该蛋白功能的可能机制。使用3D-PSSM服务器获得RPE65蛋白的初步3D结构模型。侧链坐标从SCWRL程序获得。最后，使用两个软件包Jackal和带有CHARMM力场的Tinker来修复和完善初步结构模型。基于获得的3D结构模型，讨论了该蛋白功能的可能机制。
