4ZZY

Structure of human PARP2 catalytic domain bound to an isoindolinone inhibitor

4ZZY の概要

関連するPDBエントリー4ZZX 4ZZZ 5A00
分子名称POLY [ADP-RIBOSE] POLYMERASE 2, 2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (3 entities in total)
機能のキーワードtransferase
由来する生物種HOMO SAPIENS (HUMAN)
細胞内の位置Nucleus Q9UGN5
ポリマー鎖数1
分子量合計41497.73
構造登録者
主引用文献
Papeo, G.M.E.,Posteri, H.,Borghi, D.,Busel, A.A.,Caprera, F.,Casale, E.,Ciomei, M.,Cirla, A.,Corti, E.,D'Anello, M.,Fasolini, M.,Forte, B.,Galvani, A.,Isacchi, A.,Khvat, A.,Krasavin, M.Y.,Lupi, R.,Orsini, P.,Perego, R.,Pesenti, E.,Pezzetta, D.,Rainoldi, S.,Riccardi-Sirtori, F.,Scolaro, A.,Sola, F.,Zuccotto, F.,Felder, E.R.,Donati, D.,Montagnoli, A.
Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy.
J.Med.Chem., 58:6875-, 2015
PubMed: 26222319 (主引用文献が同じPDBエントリー)
DOI: 10.1021/ACS.JMEDCHEM.5B00680
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.2 Å)
?

構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.28060.3%5.2%0.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
検証レポート(詳細版)をダウンロード