A theoretical study of the chorismate synthase reaction

被引：13

作者：

Dmitrenko, O

Wood, HB

Bach, RD

Ganem, B ^{[1
]}

机构：

[1] Univ Delaware, Brown Lab, Dept Chem & Chem Biol, Newark, DE 19716 USA

[2] Cornell Univ, Baker Lab, Dept Chem & Chem Biol, Ithaca, NY 14853 USA

来源：

ORGANIC LETTERS | 2001年 / 3卷 / 26期

关键词：

D O I：

10.1021/ol0167964

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

[GRAPHICS] Density functional calculations (B3LYP/6-31+G(d,p)) were carried out to investigate the mechanism of the anti-1,4-elimination of phosphate from 5-enolpyruvylshikimate-3-phosphate 1 that is catalyzed by chorismate synthase. Of particular interest was the functional role of the reduced flavin cofactor.

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页码：4137 / 4140

页数：4

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