1q7o: Difference between revisions
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== | ==Determination of f-MLF-OH Peptide Structure with solid-state magic-angle spinning NMR Spectroscopy== | ||
<StructureSection load='1q7o' size='340' side='right'caption='[[1q7o]]' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[1q7o]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1Q7O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1Q7O FirstGlance]. <br> | |||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solid-state NMR</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FME:N-FORMYLMETHIONINE'>FME</scene>, <scene name='pdbligand=MTY:META-TYROSINE'>MTY</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=1q7o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q7o OCA], [https://pdbe.org/1q7o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1q7o RCSB], [https://www.ebi.ac.uk/pdbsum/1q7o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1q7o ProSAT]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The three-dimensional structure of the chemotactic peptide N-formyl-l-Met-l-Leu-l-Phe-OH was determined by using solid-state NMR (SSNMR). The set of SSNMR data consisted of 16 (13)C-(15)N distances and 18 torsion angle constraints (on 10 angles), recorded from uniformly (13)C,(15)N- and (15)N-labeled samples. The peptide's structure was calculated by means of simulated annealing and a newly developed protocol that ensures that all of conformational space, consistent with the structural constraints, is searched completely. The result is a high-quality structure of a molecule that has thus far not been amenable to single-crystal diffraction studies. The extensions of the SSNMR techniques and computational methods to larger systems appear promising. | The three-dimensional structure of the chemotactic peptide N-formyl-l-Met-l-Leu-l-Phe-OH was determined by using solid-state NMR (SSNMR). The set of SSNMR data consisted of 16 (13)C-(15)N distances and 18 torsion angle constraints (on 10 angles), recorded from uniformly (13)C,(15)N- and (15)N-labeled samples. The peptide's structure was calculated by means of simulated annealing and a newly developed protocol that ensures that all of conformational space, consistent with the structural constraints, is searched completely. The result is a high-quality structure of a molecule that has thus far not been amenable to single-crystal diffraction studies. The extensions of the SSNMR techniques and computational methods to larger systems appear promising. | ||
De novo determination of peptide structure with solid-state magic-angle spinning NMR spectroscopy.,Rienstra CM, Tucker-Kellogg L, Jaroniec CP, Hohwy M, Reif B, McMahon MT, Tidor B, Lozano-Perez T, Griffin RG Proc Natl Acad Sci U S A. 2002 Aug 6;99(16):10260-5. Epub 2002 Jul 29. PMID:12149447<ref>PMID:12149447</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
[[Category: | <div class="pdbe-citations 1q7o" style="background-color:#fffaf0;"></div> | ||
[[Category: Griffin | == References == | ||
[[Category: Hohwy | <references/> | ||
[[Category: Jaroniec | __TOC__ | ||
[[Category: Lozano-Perez | </StructureSection> | ||
[[Category: McMahon | [[Category: Large Structures]] | ||
[[Category: Reif | [[Category: Griffin RG]] | ||
[[Category: Rienstra | [[Category: Hohwy M]] | ||
[[Category: Tidor | [[Category: Jaroniec CP]] | ||
[[Category: Tucker-Kellogg | [[Category: Lozano-Perez T]] | ||
[[Category: McMahon MT]] | |||
[[Category: Reif B]] | |||
[[Category: Rienstra CM]] | |||
[[Category: Tidor B]] | |||
[[Category: Tucker-Kellogg L]] | |||