Requirements on paramagnetic relaxation enhancement data for membrane protein structure determination by NMR

Structure
Daniel GottsteinPeter Güntert

Abstract

Nuclear magnetic resonance (NMR) structure calculations of the α-helical integral membrane proteins DsbB, GlpG, and halorhodopsin show that distance restraints from paramagnetic relaxation enhancement (PRE) can provide sufficient structural information to determine their structure with an accuracy of about 1.5 Å in the absence of other long-range conformational restraints. Our systematic study with simulated NMR data shows that about one spin label per transmembrane helix is necessary for obtaining enough PRE distance restraints to exclude wrong topologies, such as pseudo mirror images, if only limited other NMR restraints are available. Consequently, an experimentally realistic amount of PRE data enables α-helical membrane protein structure determinations that would not be feasible with the very limited amount of conventional NOESY data normally available for these systems. These findings are in line with our recent first de novo NMR structure determination of a heptahelical integral membrane protein, proteorhodopsin, that relied extensively on PRE data.

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Citations

Jun 5, 2013·Progress in Nuclear Magnetic Resonance Spectroscopy·Gunnar Jeschke
Jul 2, 2015·Proceedings of the National Academy of Sciences of the United States of America·Simon P SkinnerMarcellus Ubbink
Jun 1, 2013·Current Opinion in Structural Biology·Innokentiy Maslennikov, Senyon Choe
Aug 19, 2015·Progress in Nuclear Magnetic Resonance Spectroscopy·Theodoros K KaramanosSheena E Radford
Feb 25, 2015·Quarterly Reviews of Biophysics·Nicholas J Anthis, G Marius Clore
Mar 27, 2019·Angewandte Chemie·Alberto PerezJustin L MacCallum
Jan 22, 2020·Nature Chemical Biology·Shunsuke ImaiIchio Shimada
Oct 15, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Abdul-Hamid EmwasMariusz Jaremko
Apr 7, 2021·Chemistry : a European Journal·Johannes ZehnderThomas Wiegand
Oct 4, 2012·Journal of the American Chemical Society·Shenlin WangVladimir Ladizhansky
May 18, 2020·Biochimica Et Biophysica Acta. Biomembranes·Gaddafi I Danmaliki, Peter M Hwang
Sep 4, 2021·Frontiers in Molecular Biosciences·Kari GaalswykJustin L MacCallum
Sep 11, 2021·Journal of Molecular Biology·Weibin GongYingang Feng

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