Halothane binds to druggable sites in calcium-calmodulin: Solution structure of halothane-CaM C-terminal domain

Summary for 2KUH

DescriptorCalmodulin, CALCIUM ION, 2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE (3 entities in total)
Functional Keywordscalmodulin, calcium binding, volatile anesthetic, halothane, cytoskeleton, isopeptide bond, methylation, phosphoprotein, metal binding protein
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm, cytoskeleton, spindle P62158
Total number of polymer chains1
Total molecular weight8015.01
Juranic, N.,Macura, S.,Simeonov, M.V.,Jones, K.A.,Penheiter, A.R.,Hock, T.J.,Streiff, J.H. (deposition date: 2010-02-17, release date: 2010-03-09, Last modification date: 2013-12-11)
Primary citation
Juranic, N.O.,Jones, K.A.,Penheiter, A.R.,Hock, T.J.,Streiff, J.H.
Halothane binds to druggable sites in the [Ca2+]4-calmodulin (CaM) complex, but does not inhibit [Ca2+]4-CaM activation of kinase.
J. Serb. Chem. Soc., 78:1655-1670, 2013
Experimental method
NMR Information

Structure validation

ClashscoreRamachandran outliersSidechain outliers13011.9%MetricValuePercentile RanksWorseBetterPercentile relative to all structuresPercentile relative to all NMR structures
Download full validation reportDownload