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==Crystal Structure of YwhB- Homologue of 4-Oxalocrotonate Tautomerase==
==Crystal Structure of YwhB- Homologue of 4-Oxalocrotonate Tautomerase==
<StructureSection load='2op8' size='340' side='right' caption='[[2op8]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
<StructureSection load='2op8' size='340' side='right'caption='[[2op8]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[2op8]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_globigii"_migula_1900 "bacillus globigii" migula 1900]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OP8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2OP8 FirstGlance]. <br>
<table><tr><td colspan='2'>[[2op8]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_subtilis Bacillus subtilis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OP8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2OP8 FirstGlance]. <br>
</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2opa|2opa]]</td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.5&#8491;</td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">ywhB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1423 "Bacillus globigii" Migula 1900])</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=2op8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2op8 OCA], [https://pdbe.org/2op8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2op8 RCSB], [https://www.ebi.ac.uk/pdbsum/2op8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2op8 ProSAT]</span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2op8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2op8 OCA], [http://pdbe.org/2op8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2op8 RCSB], [http://www.ebi.ac.uk/pdbsum/2op8 PDBsum]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[http://www.uniprot.org/uniprot/4OT_BACSU 4OT_BACSU]] Catalyzes both 1,3- and 1,5-keto-enol tautomerization of the diacid 2-hydroxymuconate (2-hydroxy-2,4-hexadienedioate) to produce 2-oxo-4-hexenedioate. This reaction is highly stereoselective and produces a mixture of stereoisomers, where the (3S)-isomer of 2-oxo-4-hexenedioate predominates. Also catalyzes the tautomerization of 2-hydroxymuconate to 2-oxo-3-hexenedioate, however this reaction is slower and occurs after the tautomerization of 2-hydroxymuconate to 2-oxo-4-hexenedioate. Using 2-hydroxy-2,4-pentadienoate, phenylenolpyruvate, (p-hydroxyphenyl)-enolpyruvate and 2-hydroxy-2,4-heptadiene-1,7-dioate, YwhB is a highly efficient 1,3-keto-enol tautomerase, but clearly not a 1,5-keto-enol tautomerase. Tautomerization of the two monoacids 2-hydroxy-2,4-pentadienoate and phenylenolpyruvate produces a mixture of stereoisomers, where the (3R)-isomers predominate.<ref>PMID:17902707</ref>
[https://www.uniprot.org/uniprot/4OT_BACSU 4OT_BACSU] Catalyzes both 1,3- and 1,5-keto-enol tautomerization of the diacid 2-hydroxymuconate (2-hydroxy-2,4-hexadienedioate) to produce 2-oxo-4-hexenedioate. This reaction is highly stereoselective and produces a mixture of stereoisomers, where the (3S)-isomer of 2-oxo-4-hexenedioate predominates. Also catalyzes the tautomerization of 2-hydroxymuconate to 2-oxo-3-hexenedioate, however this reaction is slower and occurs after the tautomerization of 2-hydroxymuconate to 2-oxo-4-hexenedioate. Using 2-hydroxy-2,4-pentadienoate, phenylenolpyruvate, (p-hydroxyphenyl)-enolpyruvate and 2-hydroxy-2,4-heptadiene-1,7-dioate, YwhB is a highly efficient 1,3-keto-enol tautomerase, but clearly not a 1,5-keto-enol tautomerase. Tautomerization of the two monoacids 2-hydroxy-2,4-pentadienoate and phenylenolpyruvate produces a mixture of stereoisomers, where the (3R)-isomers predominate.<ref>PMID:17902707</ref>  
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
Check<jmol>
   <jmolCheckbox>
   <jmolCheckbox>
     <scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/op/2op8_consurf.spt"</scriptWhenChecked>
     <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/op/2op8_consurf.spt"</scriptWhenChecked>
     <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
     <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
     <text>to colour the structure by Evolutionary Conservation</text>
     <text>to colour the structure by Evolutionary Conservation</text>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Bacillus globigii migula 1900]]
[[Category: Bacillus subtilis]]
[[Category: Almrud, J J]]
[[Category: Large Structures]]
[[Category: Hackert, M L]]
[[Category: Almrud JJ]]
[[Category: Whitman, C P]]
[[Category: Hackert ML]]
[[Category: 4-ot]]
[[Category: Whitman CP]]
[[Category: Isomerase]]
[[Category: Tautomerase]]

Latest revision as of 13:46, 30 August 2023

Crystal Structure of YwhB- Homologue of 4-Oxalocrotonate TautomeraseCrystal Structure of YwhB- Homologue of 4-Oxalocrotonate Tautomerase

Structural highlights

2op8 is a 2 chain structure with sequence from Bacillus subtilis. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.5Å
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

4OT_BACSU Catalyzes both 1,3- and 1,5-keto-enol tautomerization of the diacid 2-hydroxymuconate (2-hydroxy-2,4-hexadienedioate) to produce 2-oxo-4-hexenedioate. This reaction is highly stereoselective and produces a mixture of stereoisomers, where the (3S)-isomer of 2-oxo-4-hexenedioate predominates. Also catalyzes the tautomerization of 2-hydroxymuconate to 2-oxo-3-hexenedioate, however this reaction is slower and occurs after the tautomerization of 2-hydroxymuconate to 2-oxo-4-hexenedioate. Using 2-hydroxy-2,4-pentadienoate, phenylenolpyruvate, (p-hydroxyphenyl)-enolpyruvate and 2-hydroxy-2,4-heptadiene-1,7-dioate, YwhB is a highly efficient 1,3-keto-enol tautomerase, but clearly not a 1,5-keto-enol tautomerase. Tautomerization of the two monoacids 2-hydroxy-2,4-pentadienoate and phenylenolpyruvate produces a mixture of stereoisomers, where the (3R)-isomers predominate.[1]

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

References

  1. Wang SC, Johnson WH Jr, Czerwinski RM, Stamps SL, Whitman CP. Kinetic and stereochemical analysis of YwhB, a 4-oxalocrotonate tautomerase homologue in Bacillus subtilis: mechanistic implications for the YwhB- and 4-oxalocrotonate tautomerase-catalyzed reactions. Biochemistry. 2007 Oct 23;46(42):11919-29. Epub 2007 Sep 29. PMID:17902707 doi:http://dx.doi.org/10.1021/bi701231a

2op8, resolution 2.50Å

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