| 1598370-78-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 1598370-78-5
• 化学式: C₁₈H₂₂N₂O₃
• 分子量: 314.384
• InChiKey: AIVSWQMCOVOAPD-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.81
• 重原子数：
  23.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  82.19
• 氢给体数：
  3.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  3-甲基丁-2-烯基膦酰磷酸氢酯 、 N-乙酰-DL-色氨酸 在 7-dimethylallyl tryptophan synthase from fungusNeosartorya sp. in E_. coli 、 calcium chloride 作用下， 以 aq. buffer 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  A 7-dimethylallyl tryptophan synthase from a fungal Neosartorya sp.: Biochemical characterization and structural insight into the regioselective prenylation

  摘要：

  A putative 7-dimethylallyl tryptophan synthase (DMATS) gene from a fungal Neosartorya sp. was cloned and overexpressed as a soluble His(6)-fusion protein in Escherichia coli. The enzyme was found to catalyze the prenylation of L-tryptophan at the C7 position of the indole moiety in the presence of dimethylallyl diphosphate; thus, it functions as a 7-DMATS. In this study, we describe the biochemical characterization of 7-DMATS from Neosartorya sp., referred to as 7-DMATS(Neo), and the structural basis of the regioselective prenylation of L-tryptophan at the C7 position by comparison of the three-dimensional structural models of 7-DMATS(Neo) with FgaPT2 (4-DMATS) from Aspergillus fumigatus. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.02.031