3IOM

Crystal structure of Purine Nucleoside Phosphorylase from Mycobacterium tuberculosis in complex with 2'-Deoxyguanosine

3IOM の概要

• エントリーDOI: 10.2210/pdb3iom/pdb
• 関連するPDBエントリー: 1G2O
• 分子名称: Purine nucleoside phosphorylase, SULFATE ION, 2'-DEOXY-GUANOSINE, ... (4 entities in total)
• 機能のキーワード: purine nucleoside phosphorylase, mycobacterium tuberculosis, 2 -deoxyguanosine, glycosyltransferase, transferase
• 由来する生物種: Mycobacterium tuberculosis
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 55925.52

構造登録者

de Azevedo Jr., W.F.,Basso, L.A.,Santos, D.S. (登録日: 2009-08-14, 公開日: 2011-01-12, 最終更新日: 2023-09-06)

主引用文献

Ducati, R.G.,Basso, L.A.,Santos, D.S.,de Azevedo, W.F.
Crystallographic and docking studies of purine nucleoside phosphorylase from Mycobacterium tuberculosis.
Bioorg.Med.Chem., 18:4769-4774, 2010

PubMed Abstract: This work describes for the first time the structure of purine nucleoside phosphorylase from Mycobacterium tuberculosis (MtPNP) in complex with sulfate and its natural substrate, 2'-deoxyguanosine, and its application to virtual screening. We report docking studies of a set of molecules against this structure. Application of polynomial empirical scoring function was able to rank docking solutions with good predicting power which opens the possibility to apply this new criterion to analyze docking solutions and screen small-molecule databases for new chemical entities to inhibit MtPNP.

PubMed: 20570524
DOI: 10.1016/j.bmc.2010.05.009

実験手法

X-RAY DIFFRACTION (2.14 Å)