Kp. Howard et Jh. Prestegard, CONFORMATION OF SULFOQUINOVOSYLDIACYLGLYCEROL BOUND TO A MAGNETICALLYORIENTED MEMBRANE SYSTEM, Biophysical journal, 71(5), 1996, pp. 2573-2582
The conformation of uniformly C-13-labeled sulfoquinovosyldiacylglycer
ol (SQDG) is studied in both membrane and solution environments using
NMR spectroscopy, Analysis in a membrane-like environment is based on
the measurement of dipolar interactions between C-13-C-13 and H-1-C-13
spin pairs and on the measurement of C-13 chemical shift anisotropy o
ffsets, which appear in magnetically oriented phospholipid-based membr
ane fragments, Potential energy maps for glycosidic torsions, phi, psi
, and theta 1, are calculated with a membrane interaction energy and a
re used in the interpretation of experimental data. The membrane-bound
description for SQDG is most consistent with a set of low-energy conf
ormations that extends the headgroup of SQDG away from the membrane su
rface. Analysis of the conformation of SQDG in CD3OD solution is based
on measured (3)J(CH) scalar couplings. The description of the solutio
n conformation is modeled as a mixture of low-energy conformers predic
ted in the absence of a membrane interaction term and involves more ex
tensive motional averaging than the model for SQDG embedded in the lip
id matrix.