9F09

Nucleoside-2'-deoxyribosyltransferase from Lactobacillus leichmannii. Complex with 2-deoxyribose, 7-Bromo-1H-imidazo[4,5-b]pyridine and 2'-deoxycytidine

これはPDB形式変換不可エントリーです。

9F09 の概要

• エントリーDOI: 10.2210/pdb9f09/pdb
• 分子名称: Nucleoside deoxyribosyltransferase, 2'-DEOXYCYTIDINE, 7-bromanyl-3~{H}-imidazo[4,5-b]pyridine, ... (5 entities in total)
• 機能のキーワード: nucleoside-2'-deoxyribosyltransferase, transferase
• 由来する生物種: Lactobacillus leichmannii
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 36954.09

構造登録者

Ascham, A.,Salihovic, A.,Burley, G.,Grogan, G. (登録日: 2024-04-15, 公開日: 2024-12-04)

主引用文献

Salihovic, A.,Ascham, A.,Taladriz-Sender, A.,Bryson, S.,Withers, J.M.,McKean, I.J.W.,Hoskisson, P.A.,Grogan, G.,Burley, G.A.
Gram-scale enzymatic synthesis of 2'-deoxyribonucleoside analogues using nucleoside transglycosylase-2.
Chem Sci, 15:15399-15407, 2024

PubMed Abstract: Nucleosides are pervasive building blocks that are found throughout nature and used extensively in medicinal chemistry and biotechnology. However, the preparation of base-modified analogues using conventional synthetic methodology poses challenges in scale-up and purification. In this work, an integrated approach involving structural analysis, screening and reaction optimization, is established to prepare 2'-deoxyribonucleoside analogues catalysed by the type II nucleoside 2'-deoxyribosyltransferase from (NDT-2). Structural analysis in combination with substrate profiling, identified the constraints on pyrimidine and purine acceptor bases by NDT2. A solvent screen identifies pure water as a suitable solvent for the preparation of high value purine and pyrimidine 2'-deoxyribonucleoside analogues on a gram scale under optimized reaction conditions. This approach provides the basis to establish a convergent, step-efficient chemoenzymatic platform for the preparation of high value 2'-deoxyribonucleosides.

PubMed: 39234214
DOI: 10.1039/d4sc04938a

実験手法

X-RAY DIFFRACTION (2.37 Å)