The influence of Mg2+ coordination on 13C and 15N chemical shifts in CKI1RD protein domain from experiment and molecular dynamics/density functional theory calculations.

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作者： Jan,Vícha ^[1] ; Martin,Babinský ^[1] ; Gabriel,Demo ^[1] ; Olga,Otrusinová ^[1] ; Séverine,Jansen ^[2] ; Blanka,Pekárová ^[1] ; Lukáš,Žídek ^[1] ; Markéta L,Munzarová ^[1]

作者单位： Central European Institute of Technology, Masaryk University, Kamenice 5, Brno, 62500, Czech Republic. ^[1] Faculty of Science, National Centre for Biomolecular Research, Masaryk University, Kamenice 5, Brno, 62500, Czech Republic. ^[2] Faculty of Science, Department of Chemistry, Masaryk University, Kotlářská 2, Brno, 61137, Czech Republic. ^[3]

关键词 13C 15N Arabidopsis thaliana CKI1 histidine kinase Mg2+ coordination NMR chemical shift density functional theory molecular dynamics

主题词拟南芥蛋白质类(Arabidopsis Proteins);碳同位素(Carbon Isotopes);镁(Magnesium);分子动力学模拟(Molecular Dynamics Simulation);氮同位素(Nitrogen Isotopes);核磁共振, 生物分子(Nuclear Magnetic Resonance, Biomolecular);蛋白激酶类(Protein Kinases)

DOI 10.1002/prot.25019

PMID 26879585

发布时间 2017-01-07

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