2QPL

Crystal structure of calf spleen purine nucleoside phosphorylase complexed to a novel purine analogue

2QPL の概要

• エントリーDOI: 10.2210/pdb2qpl/pdb
• 関連するPDBエントリー: 1a9p 1vnf
• 分子名称: Purine nucleoside phosphorylase, SULFATE ION, MAGNESIUM ION, ... (5 entities in total)
• 機能のキーワード: purine nucleoside phosphorylase, acetylation, glycosyltransferase, transferase
• 由来する生物種: Bos taurus (cattle)
• 細胞内の位置: Cytoplasm, cytoskeleton (By similarity): P55859
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 31713.31

構造登録者

Pereira, H.M.,Berdini, V.,Cleasby, A.,Garratt, R.C. (登録日: 2007-07-24, 公開日: 2007-12-18, 最終更新日: 2023-11-29)

主引用文献

Pereira, H.M.,Berdini, V.,Cleasby, A.,Garratt, R.C.
Crystal structure of calf spleen purine nucleoside phosphorylase complexed to a novel purine analogue.
Febs Lett., 581:5082-5086, 2007

PubMed Abstract: The combined use of a rapid virtual screen of a small fragment library together with a single point enzyme assay has been used for the discovery of novel PNP inhibitors. The availability of readily soakable crystals of bovine PNP has allowed the approach to be experimentally validated by determining the crystal structure of one of the inhibitor-PNP complexes. Comparison of the experimentally determined binding mode with that predicted by the virtual screening shows them to be similar. This represents a starting point for the growth of the ligand into a higher affinity inhibitor.

PubMed: 17927987
DOI: 10.1016/j.febslet.2007.09.051

実験手法

X-RAY DIFFRACTION (2.1 Å)