6I8T

THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH AN ISOINDOLINONE INHIBITOR

6I8T の概要

分子名称Poly [ADP-ribose] polymerase 1, (1~{R})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide (3 entities in total)
機能のキーワードtransferase, chicken parp1, inhibitor complex, adp-ribosylation, dna damage
由来する生物種Gallus gallus (Chicken)
ポリマー鎖数1
分子量合計40983.1
構造登録者
Casale, E.,Papeo, G.,Montagnoli, A. (登録日: 2018-11-21, 公開日: 2019-05-01)
主引用文献
Papeo, G.,Orsini, P.,Avanzi, N.R.,Borghi, D.,Casale, E.,Ciomei, M.,Cirla, A.,Desperati, V.,Donati, D.,Felder, E.R.,Galvani, A.,Guanci, M.,Isacchi, A.,Posteri, H.,Rainoldi, S.,Riccardi-Sirtori, F.,Scolaro, A.,Montagnoli, A.
Discovery of Stereospecific PARP-1 Inhibitor Isoindolinone NMS-P515.
Acs Med.Chem.Lett., 10:534-538, 2019
PubMed: 30996792 (主引用文献が同じPDBエントリー)
DOI: 10.1021/acsmedchemlett.8b00569
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.1 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2816 0.6% 6.6% 2.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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