2q53

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(New page: 200px<br /> <applet load="2q53" size="450" color="white" frame="true" align="right" spinBox="true" caption="2q53, resolution 2.010&Aring;" /> '''Ensemble refinemen...)
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[[Image:2q53.gif|left|200px]]<br />
 
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<applet load="2q53" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="2q53, resolution 2.010&Aring;" />
 
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'''Ensemble refinement of the crystal structure of uncharacterized protein loc79017 from Homo sapiens'''<br />
 
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==Overview==
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==Ensemble refinement of the crystal structure of uncharacterized protein loc79017 from Homo sapiens==
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X-ray crystallography typically uses a single set of coordinates and B, factors to describe macromolecular conformations. Refinement of multiple, copies of the entire structure has been previously used in specific cases, as an alternative means of representing structural flexibility. Here, we, systematically validate this method by using simulated diffraction data, and we find that ensemble refinement produces better representations of, the distributions of atomic positions in the simulated structures than, single-conformer refinements. Comparison of principal components, calculated from the refined ensembles and simulations shows that concerted, motions are captured locally, but that correlations dissipate over long, distances. Ensemble refinement is also used on 50 experimental structures, of varying resolution and leads to decreases in R(free) values, implying, that improvements in the representation of flexibility observed for the, simulated structures may apply to real structures. These gains are, essentially independent of resolution or data-to-parameter ratio, suggesting that even structures at moderate resolution can benefit from, ensemble refinement.
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<StructureSection load='2q53' size='340' side='right'caption='[[2q53]], [[Resolution|resolution]] 2.01&Aring;' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[2q53]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Q53 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2Q53 FirstGlance]. <br>
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2Q53 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2Q53 OCA].
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.01&#8491;</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=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>
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==Reference==
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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=2q53 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2q53 OCA], [https://pdbe.org/2q53 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2q53 RCSB], [https://www.ebi.ac.uk/pdbsum/2q53 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2q53 ProSAT]</span></td></tr>
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Ensemble refinement of protein crystal structures: validation and application., Levin EJ, Kondrashov DA, Wesenberg GE, Phillips GN Jr, Structure. 2007 Sep;15(9):1040-52. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17850744 17850744]
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/GGCT_HUMAN GGCT_HUMAN] Catalyzes the formation of 5-oxoproline from gamma-glutamyl dipeptides and may play a significant role in glutathione homeostasis. Induces release of cytochrome c from mitochondria with resultant induction of apoptosis.<ref>PMID:16765912</ref> <ref>PMID:18515354</ref>
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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/q5/2q53_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=2q53 ConSurf].
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<div style="clear:both"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: CESG, Center.for.Eukaryotic.Structural.Genomics.]]
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[[Category: Kondrashov DA]]
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[[Category: Jr., G.N.Phillips.]]
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[[Category: Levin EJ]]
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[[Category: Kondrashov, D.A.]]
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[[Category: Phillips Jr GN]]
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[[Category: Levin, E.J.]]
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[[Category: Wesenberg GE]]
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[[Category: Wesenberg, G.E.]]
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[[Category: center for eukaryotic structural genomics]]
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[[Category: cesg]]
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[[Category: ensemble refinement]]
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[[Category: protein structure initiative]]
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[[Category: psi]]
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[[Category: refinement methodology development]]
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[[Category: structural genomics]]
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[[Category: unknown function]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 12 23:29:43 2007''
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Current revision

Ensemble refinement of the crystal structure of uncharacterized protein loc79017 from Homo sapiens

PDB ID 2q53

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