植物Rubisco活性中心的模拟分析

Simulation on Botanic Rubisco Active Center

通过对与不同配基结合的植物Rubisco复合物结构的重叠比较分析 ,发现Rubisco的活性差异是由其中一段Loop6环序列所造成的 ;金属离子与活性中心的结合会造成活性中心巨大的构象变化 .进一步用SwissPDBViewer软件模拟不同配基的植物Rubisco活性中心与此Loop环的氢键相互作用 .结果表明 ,有 3个Lys残基Lys2 0 1、Lys334、Lys175与Rubisco是否处于活性状态密切相关 。

Through superposition of Rubisco combined with different ligands, it was found that loop6 in the C domain led to a difference between activated Rubisco and non activated one and that the metal ion binding induced a large structural change in active center. The positional relation and hydrogen bond interaction between the residues in active site and this loop region of Rubisco combined with different ligands were simulated through SwissPDBViewer. The results showed that three Lys residues——Lys201, Lys334 and Lys175, were related to the activity of Rubisco. The structural changes in these residues will give instruction to molecular design.