3PAX

THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH 3-METHOXYBENZAMIDE

3PAX の概要

• エントリーDOI: 10.2210/pdb3pax/pdb
• 分子名称: POLY(ADP-RIBOSE) POLYMERASE, 3-METHOXYBENZAMIDE (3 entities in total)
• 機能のキーワード: transferase, glycosyltransferase, nad(+) adp-ribosyltransferase
• 由来する生物種: Gallus gallus (chicken)
• 細胞内の位置: Nucleus: P26446
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 40566.51

構造登録者

Ruf, A.,Schulz, G.E. (登録日: 1997-11-25, 公開日: 1998-05-27, 最終更新日: 2024-05-22)

主引用文献

Ruf, A.,de Murcia, G.,Schulz, G.E.
Inhibitor and NAD+ binding to poly(ADP-ribose) polymerase as derived from crystal structures and homology modeling.
Biochemistry, 37:3893-3900, 1998

PubMed Abstract: Inhibitors of poly(ADP-ribose) polymerase (PARP, EC 2.4.2.30) are of clinical interest because they have potential for improving radiation therapy and chemotherapy of cancer. The refined binding structures of four such inhibitors are reported together with the refined structure of the unligated catalytic fragment of the enzyme. Following their design, all inhibitors bind at the position of the nicotinamide moiety of the substrate NAD+. The observed binding mode suggests inhibitor improvements that avoid other NAD(+)-binding enzymes. Because the binding pocket of NAD+ has been strongly conserved during evolution, the homology with ADP-ribosylating bacterial toxins could be used to extend the bound nicotinamide, which is marked by the inhibitors, to the full NAD+ molecule.

PubMed: 9521710
DOI: 10.1021/bi972383s

実験手法

X-RAY DIFFRACTION (2.4 Å)