7AAB

Crystal structure of the catalytic domain of human PARP1 in complex with inhibitor EB-47

7AAB の概要

• エントリーDOI: 10.2210/pdb7aab/pdb
• 関連するPDBエントリー: 7AAA
• 分子名称: Poly [ADP-ribose] polymerase 1, 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: parp inhibitor, parylation, substrate mimetic, inhibitor, nadh analog, eb47, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 80085.18

構造登録者

Schimpl, M.,Ogden, T.E.H.,Yang, J.-C.,Easton, L.E.,Underwood, E.,Rawlins, P.B.,Johannes, J.W.,Embrey, K.J.,Neuhaus, D. (登録日: 2020-09-04, 公開日: 2021-01-13, 最終更新日: 2024-05-01)

• 主引用文献: Ogden, T.E.H.,Yang, J.C.,Schimpl, M.,Easton, L.E.,Underwood, E.,Rawlins, P.B.,McCauley, M.M.,Langelier, M.F.,Pascal, J.M.,Embrey, K.J.,Neuhaus, D.; Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.; Nucleic Acids Res., 49:2266-2288, 2021; PubMed: 33511412; DOI: 10.1093/nar/gkab020

実験手法

X-RAY DIFFRACTION (2.8 Å)