Occupying a flat subpocket in a tRNA-modifying enzyme with ordered or disordered side chains: Favorable or unfavorable for binding?

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作者： Manuel,Neeb ^[1] ; Christoph,Hohn ^[2] ; Frederik Rainer,Ehrmann ^[1] ; Adrian,Härtsch ^[2] ; Andreas,Heine ^[1] ; François,Diederich ^[2] ; Gerhard,Klebe ^[3]

作者单位： Institut für Pharmazeutische Chemie, Philipps-Universität Marburg, Marbacher Weg 6, 35032 Marburg, Germany. ^[1] Laboratorium für Organische Chemie, ETH Zurich, Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland. ^[2] Institut für Pharmazeutische Chemie, Philipps-Universität Marburg, Marbacher Weg 6, 35032 Marburg, Germany. Electronic address: klebe@mailer.uni-marburg.de. ^[3]

关键词 Crystallography Drug design Flat-binding pockets Order-disorder phenomena Protein–ligand complexes Residual mobility

主题词结合部位(Binding Sites);糖基转移酶类(Glycosyltransferases);配体(Ligands);分子动力学模拟(Molecular Dynamics Simulation);分子结构(Molecular Structure);RNA, 转移(RNA, Transfer)

DOI 10.1016/j.bmc.2016.07.053

PMID 27501913

发布时间 2017-12-07

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