5FTQ

Crystal structure of the ALK kinase domain in complex with Cmpd 17

5FTQ の概要

関連するPDBエントリー5FTO
分子名称ALK TYROSINE KINASE RECEPTOR, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE, GLYCEROL, ... (4 entities in total)
機能のキーワードtransferase, kinase inhibitors, cancer, drug discovery, alk, trk, ros1, anaplastic large cell lymphoma (alcl), non small cell large cancer (nsclc), neuroblastoma, colorectal cancer (crc)
由来する生物種HOMO SAPIENS (HUMAN)
細胞内の位置Cell membrane ; Single-pass type I membrane protein  Q9UM73
ポリマー鎖数1
分子量合計36001.37
構造登録者
主引用文献
Menichincheri, M.,Ardini, E.,Magnaghi, P.,Avanzi, N.,Banfi, P.,Bossi, R.T.,Buffa, L.,Canevari, G.,Ceriani, L.,Colombo, M.,Corti, L.,Donati, D.,Fasolini, M.,Felder, E.R.,Fiorelli, C.,Fiorentini, F.,Galvani, A.,Isacchi, A.,Borgia, A.L.,Marchionni, C.,Nesi, M.,Orrenius, C.,Panzeri, A.,Pesenti, E.,Rusconi, L.,Saccardo, B.M.,Vanotti, E.,Perrone, E.,Orsini, P.
Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59:3392-, 2016
PubMed: 27003761 (主引用文献が同じPDBエントリー)
DOI: 10.1021/ACS.JMEDCHEM.6B00064
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (1.7 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.220803.1%1.4%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

他の静止画像(非対称単位)

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