1kqv

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(New page: 200px<br /><applet load="1kqv" size="450" color="white" frame="true" align="right" spinBox="true" caption="1kqv" /> '''Family of NMR Solution Structures of Ca Ln C...)
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[[Image:1kqv.gif|left|200px]]<br /><applet load="1kqv" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1kqv" />
 
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'''Family of NMR Solution Structures of Ca Ln Calbindin D9K'''<br />
 
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==Overview==
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==Family of NMR Solution Structures of Ca Ln Calbindin D9K==
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The relative importance of paramagnetism-based constraints (i.e., pseudocontact shifts, residual dipolar couplings and nuclear relaxation, enhancements) with respect to classical constraints in solution structure, determinations of paramagnetic metalloproteins has been addressed. The, protein selected for the study is a calcium binding protein, calbindin, D9k, in which one of the two calcium ions is substituted with cerium(III)., From 1823 NOEs, 191 dihedral angles, 15 hydrogen bonds, 769 pseudocontact, shifts, 64 orientational constraints, 26 longitudinal relaxation rates, plus 969 pseudocontact shifts from other lanthanides, a final family with, backbone r.m.s.d. from the average of 0.25 A was obtained. Then, several, families of structures were generated either by removing subsets of, paramagnetism-based constraints or by removing increasing numbers of NOEs., The results show the relative importance of the various, paramagnetism-based constraints and their good complementarity with the, diamagnetic ones. Although a resolved structure cannot be obtained with, paramagnetism-based constraints only, it is shown that a reasonably well, resolved backbone fold can be safely obtained by retaining as few as 29, randomly chosen long-range NOEs using the standard version of the program, PSEUDYANA.
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<StructureSection load='1kqv' size='340' side='right'caption='[[1kqv]]' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1kqv]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1KQV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1KQV FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=LA:LANTHANUM+(III)+ION'>LA</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1kqv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kqv OCA], [https://pdbe.org/1kqv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1kqv RCSB], [https://www.ebi.ac.uk/pdbsum/1kqv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1kqv ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/S100G_BOVIN S100G_BOVIN]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/kq/1kqv_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1kqv ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The relative importance of paramagnetism-based constraints (i.e. pseudocontact shifts, residual dipolar couplings and nuclear relaxation enhancements) with respect to classical constraints in solution structure determinations of paramagnetic metalloproteins has been addressed. The protein selected for the study is a calcium binding protein, calbindin D9k, in which one of the two calcium ions is substituted with cerium(III). From 1823 NOEs, 191 dihedral angles, 15 hydrogen bonds, 769 pseudocontact shifts, 64 orientational constraints, 26 longitudinal relaxation rates, plus 969 pseudocontact shifts from other lanthanides, a final family with backbone r.m.s.d. from the average of 0.25 A was obtained. Then, several families of structures were generated either by removing subsets of paramagnetism-based constraints or by removing increasing numbers of NOEs. The results show the relative importance of the various paramagnetism-based constraints and their good complementarity with the diamagnetic ones. Although a resolved structure cannot be obtained with paramagnetism-based constraints only, it is shown that a reasonably well resolved backbone fold can be safely obtained by retaining as few as 29 randomly chosen long-range NOEs using the standard version of the program PSEUDYANA.
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==About this Structure==
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Paramagnetism-based versus classical constraints: an analysis of the solution structure of Ca Ln calbindin D9k.,Bertini I, Donaire A, Jimenez B, Luchinat C, Parigi G, Piccioli M, Poggi L J Biomol NMR. 2001 Oct;21(2):85-98. PMID:11727989<ref>PMID:11727989</ref>
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1KQV is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] with LA as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1KQV OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Paramagnetism-based versus classical constraints: an analysis of the solution structure of Ca Ln calbindin D9k., Bertini I, Donaire A, Jimenez B, Luchinat C, Parigi G, Piccioli M, Poggi L, J Biomol NMR. 2001 Oct;21(2):85-98. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11727989 11727989]
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</div>
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[[Category: Bos taurus]]
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<div class="pdbe-citations 1kqv" style="background-color:#fffaf0;"></div>
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[[Category: Single protein]]
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[[Category: Bertini, I.]]
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[[Category: Donaire, A.]]
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[[Category: Jimenez, B.]]
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[[Category: Luchinat, C.]]
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[[Category: Parigi, G.]]
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[[Category: Piccioli, M.]]
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[[Category: Poggi, L.]]
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[[Category: LA]]
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[[Category: calcium binding proteins]]
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[[Category: nmr solution structure]]
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[[Category: paramagnetism-based constraints]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 19:42:20 2007''
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==See Also==
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*[[S100 proteins 3D structures|S100 proteins 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Bos taurus]]
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[[Category: Large Structures]]
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[[Category: Bertini I]]
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[[Category: Donaire A]]
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[[Category: Jimenez B]]
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[[Category: Luchinat C]]
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[[Category: Parigi G]]
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[[Category: Piccioli M]]
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[[Category: Poggi L]]

Current revision

Family of NMR Solution Structures of Ca Ln Calbindin D9K

PDB ID 1kqv

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