View source for 9auq


==Crystal structure of 4-Fluoro-tryptophan labeled Oscillatoria Agardhii agglutinin==
<StructureSection load='9auq' size='340' side='right'caption='[[9auq]], [[Resolution|resolution]] 2.37&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[9auq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Planktothrix_agardhii Planktothrix agardhii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9AUQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9AUQ FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.37&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4FW:4-FLUOROTRYPTOPHANE'>4FW</scene>, <scene name='pdbligand=CXS:3-CYCLOHEXYL-1-PROPYLSULFONIC+ACID'>CXS</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=9auq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9auq OCA], [https://pdbe.org/9auq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9auq RCSB], [https://www.ebi.ac.uk/pdbsum/9auq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9auq ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/C0STD7_PLAAG C0STD7_PLAAG] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Traditional protein structure determination by magic angle spinning (MAS) solid-state NMR spectroscopy primarily relies on interatomic distances up to 8 A, extracted from (13)C-, (15)N-, and (1)H-based dipolar-based correlation experiments. Here, we show that (19)F fast (60 kHz) MAS NMR spectroscopy can supply additional, longer distances. Using 4F-Trp,U-(13)C,(15)N crystalline Oscillatoria agardhii agglutinin (OAA), we demonstrate that judiciously designed 2D and 3D (19)F-based dipolar correlation experiments such as (H)CF, (H)CHF, and FF can yield interatomic distances in the 8-16 A range. Incorporation of fluorine-based restraints into structure calculation improved the precision of Trp side chain conformations as well as regions in the protein around the fluorine containing residues, with notable improvements observed for residues in proximity to the Trp pairs (W10/W17 and W77/W84) in the carbohydrate-binding loops, which lacked sufficient long-range (13)C-(13)C distance restraints. Our work highlights the use of fluorine and (19)F fast MAS NMR spectroscopy as a powerful structural biology tool.

Integrating (19)F Distance Restraints for Accurate Protein Structure Determination by Magic Angle Spinning NMR Spectroscopy.,Runge BR, Zadorozhnyi R, Quinn CM, Russell RW, Lu M, Antolinez S, Struppe J, Schwieters CD, Byeon IL, Hadden-Perilla JA, Gronenborn AM, Polenova T J Am Chem Soc. 2024 Oct 23. doi: 10.1021/jacs.4c11373. PMID:39440810<ref>PMID:39440810</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 9auq" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Planktothrix agardhii]]
[[Category: Antolinez S]]
[[Category: Byeon IL]]
[[Category: Gronenborn AM]]
[[Category: Hadden-Perilla J]]
[[Category: Lu M]]
[[Category: Polenova T]]
[[Category: Quinn CM]]
[[Category: Runge BR]]
[[Category: Russell RW]]
[[Category: Schwieters CD]]
[[Category: Struppe J]]
[[Category: Zadorozhnyi RR]]