1UK0

Crystal structure of catalytic domain of human poly(ADP-ribose) polymerase with a novel inhibitor

1UK0 の概要

• エントリーDOI: 10.2210/pdb1uk0/pdb
• 関連するPDBエントリー: 1UK1
• 分子名称: Poly [ADP-ribose] polymerase-1, 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]PROPYL}-8-METHYL-4(3H)-QUINAZOLINONE (3 entities in total)
• 機能のキーワード: protein-inhibitor complex, transferase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus: P09874
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 79148.64

構造登録者

Kinoshita, T. (登録日: 2003-08-13, 公開日: 2004-01-27, 最終更新日: 2023-12-27)

主引用文献

Kinoshita, T.,Nakanishi, I.,Warizaya, M.,Iwashita, A.,Kido, Y.,Hattori, K.,Fujii, T.
Inhibitor-induced structural change of the active site of human poly(ADP-ribose) polymerase.
Febs Lett., 556:43-46, 2004

PubMed Abstract: The crystal structure of human recombinant poly(ADP-ribose) polymerase (PARP) complexed with a potent inhibitor, FR257517, was solved at 3.0 A resolution. The fluorophenyl part of the inhibitor induces an amazing conformational change in the active site of PARP by motion of the side chain of the amino acid, Arg878, which forms the bottom of the active site. Consequently, a corn-shaped hydrophobic subsite, which consists of the side chains of Leu769, Ile879, Pro881, and the methylene chain of Arg878, newly emerges from the well-known active site.

PubMed: 14706823
DOI: 10.1016/S0014-5793(03)01362-0

実験手法

X-RAY DIFFRACTION (3 Å)