1kqv

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[[Image:1kqv.gif|left|200px]]
 
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{{Structure
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==Family of NMR Solution Structures of Ca Ln Calbindin D9K==
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|PDB= 1kqv |SIZE=350|CAPTION= <scene name='initialview01'>1kqv</scene>
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<StructureSection load='1kqv' size='340' side='right'caption='[[1kqv]]' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=LA:LANTHANUM (III) ION'>LA</scene>
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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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|ACTIVITY=
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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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|GENE=
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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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}}
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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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'''Family of NMR Solution Structures of Ca Ln Calbindin D9K'''
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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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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 1kqv" style="background-color:#fffaf0;"></div>
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==Overview==
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==See Also==
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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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*[[S100 proteins 3D structures|S100 proteins 3D structures]]
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== References ==
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==About this Structure==
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<references/>
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1KQV is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1KQV OCA].
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__TOC__
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</StructureSection>
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==Reference==
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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://www.ncbi.nlm.nih.gov/pubmed/11727989 11727989]
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[[Category: Bos taurus]]
[[Category: Bos taurus]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Bertini, I.]]
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[[Category: Bertini I]]
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[[Category: Donaire, A.]]
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[[Category: Donaire A]]
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[[Category: Jimenez, B.]]
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[[Category: Jimenez B]]
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[[Category: Luchinat, C.]]
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[[Category: Luchinat C]]
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[[Category: Parigi, G.]]
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[[Category: Parigi G]]
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[[Category: Piccioli, M.]]
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[[Category: Piccioli M]]
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[[Category: Poggi, L.]]
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[[Category: Poggi L]]
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[[Category: LA]]
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[[Category: calcium binding protein]]
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[[Category: nmr solution structure]]
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[[Category: paramagnetism-based constraint]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:21:03 2008''
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Current revision

Family of NMR Solution Structures of Ca Ln Calbindin D9K

PDB ID 1kqv

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