High-resolution 3D structure determination of kaliotoxin by solid-state NMR spectroscopy.

High-resolution solid-state NMR spectroscopy can provide structural information of proteins that cannot be studied by X-ray crystallography or solution NMR spectroscopy. Here we demonstrate that it is possible to determine a protein structure by solid-state NMR to a resolution comparable to that by...

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Autores principales:	Jegannath Korukottu, Robert Schneider, Vinesh Vijayan, Adam Lange, Olaf Pongs, Stefan Becker, Marc Baldus, Markus Zweckstetter
Formato:	article
Lenguaje:	EN
Publicado:	Public Library of Science (PLoS) 2008
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/a40d50c72cbb4cc3b5fbac40719df181
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id	oai:doaj.org-article:a40d50c72cbb4cc3b5fbac40719df181
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spelling	oai:doaj.org-article:a40d50c72cbb4cc3b5fbac40719df1812021-11-25T06:12:12ZHigh-resolution 3D structure determination of kaliotoxin by solid-state NMR spectroscopy.1932-620310.1371/journal.pone.0002359https://doaj.org/article/a40d50c72cbb4cc3b5fbac40719df1812008-06-01T00:00:00Zhttps://www.ncbi.nlm.nih.gov/pmc/articles/pmid/18523586/pdf/?tool=EBIhttps://doaj.org/toc/1932-6203High-resolution solid-state NMR spectroscopy can provide structural information of proteins that cannot be studied by X-ray crystallography or solution NMR spectroscopy. Here we demonstrate that it is possible to determine a protein structure by solid-state NMR to a resolution comparable to that by solution NMR. Using an iterative assignment and structure calculation protocol, a large number of distance restraints was extracted from (1)H/(1)H mixing experiments recorded on a single uniformly labeled sample under magic angle spinning conditions. The calculated structure has a coordinate precision of 0.6 A and 1.3 A for the backbone and side chain heavy atoms, respectively, and deviates from the structure observed in solution. The approach is expected to be applicable to larger systems enabling the determination of high-resolution structures of amyloid or membrane proteins.Jegannath KorukottuRobert SchneiderVinesh VijayanAdam LangeOlaf PongsStefan BeckerMarc BaldusMarkus ZweckstetterPublic Library of Science (PLoS)articleMedicineRScienceQENPLoS ONE, Vol 3, Iss 6, p e2359 (2008)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Jegannath Korukottu Robert Schneider Vinesh Vijayan Adam Lange Olaf Pongs Stefan Becker Marc Baldus Markus Zweckstetter High-resolution 3D structure determination of kaliotoxin by solid-state NMR spectroscopy.
description	High-resolution solid-state NMR spectroscopy can provide structural information of proteins that cannot be studied by X-ray crystallography or solution NMR spectroscopy. Here we demonstrate that it is possible to determine a protein structure by solid-state NMR to a resolution comparable to that by solution NMR. Using an iterative assignment and structure calculation protocol, a large number of distance restraints was extracted from (1)H/(1)H mixing experiments recorded on a single uniformly labeled sample under magic angle spinning conditions. The calculated structure has a coordinate precision of 0.6 A and 1.3 A for the backbone and side chain heavy atoms, respectively, and deviates from the structure observed in solution. The approach is expected to be applicable to larger systems enabling the determination of high-resolution structures of amyloid or membrane proteins.
format	article
author	Jegannath Korukottu Robert Schneider Vinesh Vijayan Adam Lange Olaf Pongs Stefan Becker Marc Baldus Markus Zweckstetter
author_facet	Jegannath Korukottu Robert Schneider Vinesh Vijayan Adam Lange Olaf Pongs Stefan Becker Marc Baldus Markus Zweckstetter
author_sort	Jegannath Korukottu
title	High-resolution 3D structure determination of kaliotoxin by solid-state NMR spectroscopy.
title_short	High-resolution 3D structure determination of kaliotoxin by solid-state NMR spectroscopy.
title_full	High-resolution 3D structure determination of kaliotoxin by solid-state NMR spectroscopy.
title_fullStr	High-resolution 3D structure determination of kaliotoxin by solid-state NMR spectroscopy.
title_full_unstemmed	High-resolution 3D structure determination of kaliotoxin by solid-state NMR spectroscopy.
title_sort	high-resolution 3d structure determination of kaliotoxin by solid-state nmr spectroscopy.
publisher	Public Library of Science (PLoS)
publishDate	2008
url	https://doaj.org/article/a40d50c72cbb4cc3b5fbac40719df181
work_keys_str_mv	AT jegannathkorukottu highresolution3dstructuredeterminationofkaliotoxinbysolidstatenmrspectroscopy AT robertschneider highresolution3dstructuredeterminationofkaliotoxinbysolidstatenmrspectroscopy AT vineshvijayan highresolution3dstructuredeterminationofkaliotoxinbysolidstatenmrspectroscopy AT adamlange highresolution3dstructuredeterminationofkaliotoxinbysolidstatenmrspectroscopy AT olafpongs highresolution3dstructuredeterminationofkaliotoxinbysolidstatenmrspectroscopy AT stefanbecker highresolution3dstructuredeterminationofkaliotoxinbysolidstatenmrspectroscopy AT marcbaldus highresolution3dstructuredeterminationofkaliotoxinbysolidstatenmrspectroscopy AT markuszweckstetter highresolution3dstructuredeterminationofkaliotoxinbysolidstatenmrspectroscopy
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High-resolution 3D structure determination of kaliotoxin by solid-state NMR spectroscopy.

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