6BKW

BTK complex with compound 12

6BKW の概要

関連するPDBエントリー6BIK 6BKE 6BKH 6BLN 6AUA 6AUB 6EP9
分子名称Tyrosine-protein kinase BTK, SULFATE ION, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, ... (6 entities in total)
機能のキーワードbtk, inhibitor, water structure, kinase, transferase
由来する生物種Homo sapiens (Human)
ポリマー鎖数1
分子量合計35123.94
構造登録者
Kiefer, J.R.,Eigenbrot, C.,Yu, C.L. (登録日: 2017-11-09, 公開日: 2018-11-07)
主引用文献
Nittinger, E.,Gibbons, P.,Davies, D.R.,Maurer, B.,Yu, C.L.,Eigenbrot, C.,Kiefer, J.R.,Kuglstatter, A.,Murray, J.,Ortwine, D.,Tsui, V.
Water Molecules in Protein-Ligand Interfaces. Evaluation of Software Tools and SAR Comparison
To Be Published,
実験手法
X-RAY DIFFRACTION (1.499 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.190000 4.9%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)

Molmil generated image of 6bkw
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Molmil generated image of 6bkw
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Molmil generated image of 6bkw
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