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• W2742486368 abstract "Ketamine inhibits pentameric ligand-gated ion channels (pLGICs), including the bacterial pLGIC from Gloeobacter violaceus (GLIC). The crystal structure of GLIC shows R-ketamine bound to an extracellular intersubunit cavity. Here, we performed molecular dynamics simulations of GLIC in the absence and presence of R- or S-ketamine. No stable binding of S-ketamine in the original cavity was observed in the simulations, largely due to its unfavorable access to residue D154, which provides important electrostatic interactions to stabilize R-ketamine binding. Contrary to the symmetric binding shown in the crystal structure, R-ketamine moved away from some of the binding sites and was bound to GLIC asymmetrically at the end of simulations. The asymmetric binding is consistent with the experimentally measured negative cooperativity of ketamine binding to GLIC. In the presence of R-ketamine, all subunits showed changes in structure and dynamics, irrespective of binding stability; the extracellular intersubunit cavity expanded and intersubunit electrostatic interactions involved in channel activation were altered. R-ketamine binding promoted a conformational shift toward closed GLIC. Conformational changes near the ketamine-binding site were propagated to the interface between the extracellular and transmembrane domains, and further to the pore-lining TM2 through two pathways: pre-TM1 and the β1–β2 loop. Both signaling pathways have been predicted previously using the perturbation-based Markovian transmission model. The study provides a structural and dynamics basis for the inhibitory modulation of ketamine on pLGICs." @default.
• W2742486368 created "2017-08-17" @default.
• W2742486368 creator A5005192869 @default.
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• W2742486368 creator A5038991494 @default.
• W2742486368 creator A5041229823 @default.
• W2742486368 creator A5073212256 @default.
• W2742486368 date "2017-08-01" @default.
• W2742486368 modified "2023-10-16" @default.
• W2742486368 title "Ketamine Inhibition of the Pentameric Ligand-Gated Ion Channel GLIC" @default.
• W2742486368 cites W1568032404 @default.
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• W2742486368 cites W1908444272 @default.
• W2742486368 cites W1973977212 @default.
• W2742486368 cites W1974030600 @default.
• W2742486368 cites W1975239375 @default.
• W2742486368 cites W1979514279 @default.
• W2742486368 cites W1986872981 @default.
• W2742486368 cites W1988889643 @default.
• W2742486368 cites W1992450814 @default.
• W2742486368 cites W1999423218 @default.
• W2742486368 cites W2000860313 @default.
• W2742486368 cites W2008538639 @default.
• W2742486368 cites W2009084960 @default.
• W2742486368 cites W2009656552 @default.
• W2742486368 cites W2011282943 @default.
• W2742486368 cites W2014945037 @default.
• W2742486368 cites W2015846244 @default.
• W2742486368 cites W2015870127 @default.
• W2742486368 cites W2016495979 @default.
• W2742486368 cites W2019269080 @default.
• W2742486368 cites W2027408247 @default.
• W2742486368 cites W2027590847 @default.
• W2742486368 cites W2029667189 @default.
• W2742486368 cites W2037827026 @default.
• W2742486368 cites W2042485714 @default.
• W2742486368 cites W2043901383 @default.
• W2742486368 cites W2044027541 @default.
• W2742486368 cites W2045237222 @default.
• W2742486368 cites W2045893995 @default.
• W2742486368 cites W2060432517 @default.
• W2742486368 cites W2060872117 @default.
• W2742486368 cites W2062331070 @default.
• W2742486368 cites W2067174909 @default.
• W2742486368 cites W2068032560 @default.
• W2742486368 cites W2073025354 @default.
• W2742486368 cites W2079274909 @default.
• W2742486368 cites W2084975857 @default.
• W2742486368 cites W2085913208 @default.
• W2742486368 cites W2087610527 @default.
• W2742486368 cites W2089345692 @default.
• W2742486368 cites W2089367180 @default.
• W2742486368 cites W2093056324 @default.
• W2742486368 cites W2100569578 @default.
• W2742486368 cites W2101887667 @default.
• W2742486368 cites W2104389482 @default.
• W2742486368 cites W2104718047 @default.
• W2742486368 cites W2111917512 @default.
• W2742486368 cites W2114169505 @default.
• W2742486368 cites W2116630177 @default.
• W2742486368 cites W2125278854 @default.
• W2742486368 cites W2126984090 @default.
• W2742486368 cites W2128299831 @default.
• W2742486368 cites W2138138589 @default.
• W2742486368 cites W2138988627 @default.
• W2742486368 cites W2139637981 @default.
• W2742486368 cites W2142144073 @default.
• W2742486368 cites W2143105324 @default.
• W2742486368 cites W2143307056 @default.
• W2742486368 cites W2145849340 @default.
• W2742486368 cites W2149994005 @default.
• W2742486368 cites W2150981663 @default.
• W2742486368 cites W2156342513 @default.
• W2742486368 cites W2164545130 @default.
• W2742486368 cites W2205288591 @default.
• W2742486368 cites W2253702229 @default.
• W2742486368 cites W2263126489 @default.
• W2742486368 cites W2308132853 @default.
• W2742486368 cites W2346390990 @default.
• W2742486368 cites W2346745491 @default.
• W2742486368 cites W2395195328 @default.
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• W2742486368 cites W2461786228 @default.
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• W2742486368 doi "https://doi.org/10.1016/j.bpj.2017.06.041" @default.
• W2742486368 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/5550297" @default.
• W2742486368 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28793215" @default.
• W2742486368 hasPublicationYear "2017" @default.
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