3KJD

Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor ABT-888

3KJD の概要

• エントリーDOI: 10.2210/pdb3kjd/pdb
• 関連するPDBエントリー: 3KCZ
• 分子名称: Poly [ADP-ribose] polymerase 2, (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: transferase, enzyme-inhibitor complex, catalytic fragment, structural genomics, structural genomics consortium, sgc, glycosyltransferase, nad, nucleus, dna-binding
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus: Q9UGN5
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 84328.62

構造登録者

Karlberg, T.,Schutz, P.,Arrowsmith, C.H.,Berglund, H.,Bountra, C.,Collins, R.,Edwards, A.M.,Flodin, S.,Flores, A.,Graslund, S.,Hammarstrom, M.,Johansson, A.,Johansson, I.,Kallas, A.,Kotenyova, T.,Kotzsch, A.,Kraulis, P.,Nielsen, T.K.,Moche, M.,Nordlund, P.,Nyman, T.,Persson, C.,Roos, A.K.,Siponen, M.I.,Thorsell, A.G.,Tresaugues, L.,Van Den Berg, S.,Weigelt, J.,Welin, M.,Wisniewska, M.,Schuler, H.,Structural Genomics Consortium (SGC) (登録日: 2009-11-03, 公開日: 2009-11-17, 最終更新日: 2023-11-01)

主引用文献

Karlberg, T.,Hammarstrom, M.,Schutz, P.,Svensson, L.,Schuler, H.
Crystal structure of the catalytic domain of human PARP2 in complex with PARP inhibitor ABT-888.
Biochemistry, 49:1056-1058, 2010

PubMed Abstract: Poly-ADP-ribose polymerases (PARPs) catalyze transfer of ADP-ribose from NAD(+) to specific residues in their substrate proteins or to growing ADP-ribose chains. PARP activity is involved in processes such as chromatin remodeling, transcription control, and DNA repair. Inhibitors of PARP activity may be useful in cancer therapy. PARP2 is the family member that is most similar to PARP1, and the two can act together as heterodimers. We used X-ray crystallography to determine two structures of the catalytic domain of human PARP2: the complexes with PARP inhibitors 3-aminobenzamide and ABT-888. These results contribute to our understanding of structural features and compound properties that can be employed to develop selective inhibitors of human ADP-ribosyltransferases.

PubMed: 20092359
DOI: 10.1021/bi902079y

実験手法

X-RAY DIFFRACTION (1.95 Å)