期刊
JOURNAL OF MOLECULAR BIOLOGY
卷 300, 期 4, 页码 677-685出版社
ACADEMIC PRESS LTD
DOI: 10.1006/jmbi.2000.3885
关键词
phospholamban; ion channel; infrared spectroscopy; molecular dynamics
A structural model of pentameric phospholamban (Plb) in a lipid bilayer has been derived using a combination of experimental data, obtained from ATR-FTIR site-directed dichroism, and the implementation of the resulting restraints during a molecular dynamics simulation. Plb (residues 24-52) has been synthesised incorporating a new label, 1-C-13=O-18, at residues 42 and 43. We have not only determined the tilt of the helices, 10(+/-6) degrees, but also the relative orientation of the transmembrane segments, with an omega angle of -32(+/-10) degrees for L42. This angle is taken as zero in the direction of the helix tilt. Plb is a simple test case where site-directed dichroism has been applied to resolve the indeterminacy arising from the mutagenesis data available. The results presented point specifically to a single structural model for Plb. (C) 2000 Academic Press.
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