2qws

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[[Image:2qws.png|left|200px]]
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==Neutron and X-ray structural studies of short hydrogen bonds in Photoactive Yellow Protein (PYP)==
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<StructureSection load='2qws' size='340' side='right' caption='[[2qws]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2qws]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Halorhodospira_halophila Halorhodospira halophila]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QWS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2QWS FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DOD:DEUTERATED+WATER'>DOD</scene>, <scene name='pdbligand=HC4:4-HYDROXYCINNAMIC+ACID'>HC4</scene><br>
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<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">pyp ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1053 Halorhodospira halophila])</td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2qws FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2qws OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2qws RCSB], [http://www.ebi.ac.uk/pdbsum/2qws PDBsum]</span></td></tr>
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<table>
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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/qw/2qws_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/chain_selection.php?pdb_ID=2ata 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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Photoactive yellow protein (PYP) from Halorhodospira halophila is a soluble 14 kDa blue-light photoreceptor. It absorbs light via its para-coumaric acid chromophore (pCA), which is covalently attached to Cys69 and is believed to be involved in the negative phototactic response of the organism to blue light. The complete structure (including H atoms) of PYP has been determined in D(2)O-soaked crystals through the application of joint X-ray (1.1 A) and neutron (2.5 A) structure refinement in combination with cross-validated maximum-likelihood simulated annealing. The resulting XN structure reveals that the phenolate O atom of pCA accepts deuterons from Glu46 O(epsilon2) and Tyr42 O(eta) in two unusually short hydrogen bonds. This arrangement is stabilized by the donation of a deuteron from Thr50 O(gamma1) to Tyr42 O(eta). However, the deuteron position between pCA and Tyr42 is only partially occupied. Thus, this atom may also interact with Thr50, possibly being disordered or fluctuating between the two bonds.
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{{STRUCTURE_2qws| PDB=2qws | SCENE= }}
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Neutron and X-ray structural studies of short hydrogen bonds in photoactive yellow protein (PYP).,Fisher SZ, Anderson S, Henning R, Moffat K, Langan P, Thiyagarajan P, Schultz AJ Acta Crystallogr D Biol Crystallogr. 2007 Nov;63(Pt 11):1178-84. Epub 2007, Oct 17. PMID:18007033<ref>PMID:18007033</ref>
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===Neutron and X-ray structural studies of short hydrogen bonds in Photoactive Yellow Protein (PYP)===
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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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{{ABSTRACT_PUBMED_18007033}}
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== References ==
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<references/>
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==About this Structure==
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__TOC__
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[[2qws]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Halorhodospira_halophila Halorhodospira halophila]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QWS OCA].
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</StructureSection>
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==Reference==
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<ref group="xtra">PMID:018007033</ref><references group="xtra"/>
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[[Category: Halorhodospira halophila]]
[[Category: Halorhodospira halophila]]
[[Category: Fisher, S Z.]]
[[Category: Fisher, S Z.]]

Revision as of 19:31, 30 September 2014

Neutron and X-ray structural studies of short hydrogen bonds in Photoactive Yellow Protein (PYP)

2qws, resolution 2.50Å

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