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{{Seed}}
[[Image:1v1j.png|left|200px]]


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==Crystal structure of type II Dehydroquintae Dehydratase from Streptomyces coelicolor in complex with 3-fluoro==
The line below this paragraph, containing "STRUCTURE_1v1j", creates the "Structure Box" on the page.
<StructureSection load='1v1j' size='340' side='right'caption='[[1v1j]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
You may change the PDB parameter (which sets the PDB file loaded into the applet)  
== Structural highlights ==
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
<table><tr><td colspan='2'>[[1v1j]] is a 12 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1V1J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1V1J FirstGlance]. <br>
or leave the SCENE parameter empty for the default display.
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2&#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=FA3:2-ANHYDRO-3-FLUORO-QUINIC+ACID'>FA3</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></td></tr>
{{STRUCTURE_1v1j|  PDB=1v1j  |  SCENE= }}
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1v1j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1v1j OCA], [https://pdbe.org/1v1j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1v1j RCSB], [https://www.ebi.ac.uk/pdbsum/1v1j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1v1j ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/AROQ_STRCO AROQ_STRCO] Catalyzes a trans-dehydration via an enolate intermediate (By similarity).[HAMAP-Rule:MF_00169]
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/v1/1v1j_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</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=1v1j ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The fluoro analogue of the enolate intermediate in the reaction catalyzed by type II dehydroquinases has been prepared from naturally occurring (-)-quinic acid over seven steps and has been shown to be the most potent inhibitor reported to date of the type II enzyme from Mycobacterium tuberculosis.


===CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINTAE DEHYDRATASE FROM STREPTOMYCES COELICOLOR IN COMPLEX WITH 3-FLUORO===
(1R,4S,5R)-3-Fluoro-1,4,5-trihydroxy-2-cyclohexene-1-carboxylic acid: the fluoro analogue of the enolate intermediate in the reaction catalyzed by type II dehydroquinases.,Frederickson M, Roszak AW, Coggins JR, Lapthorn AJ, Abell C Org Biomol Chem. 2004 Jun 7;2(11):1592-6. Epub 2004 May 6. PMID:15162210<ref>PMID:15162210</ref>


From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 1v1j" style="background-color:#fffaf0;"></div>


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==See Also==
The line below this paragraph, {{ABSTRACT_PUBMED_15162210}}, adds the Publication Abstract to the page
*[[Dehydroquinase 3D structures|Dehydroquinase 3D structures]]
(as it appears on PubMed at http://www.pubmed.gov), where 15162210 is the PubMed ID number.
== References ==
-->
<references/>
{{ABSTRACT_PUBMED_15162210}}
__TOC__
 
</StructureSection>
==About this Structure==
[[Category: Large Structures]]
1V1J is a 12 chains structure of sequences from [http://en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1V1J OCA].
 
==Reference==
<ref group="xtra">PMID:15162210</ref><references group="xtra"/>
[[Category: 3-dehydroquinate dehydratase]]
[[Category: Streptomyces coelicolor]]
[[Category: Streptomyces coelicolor]]
[[Category: Coggins, J R.]]
[[Category: Coggins JR]]
[[Category: Lapthorn, A J.]]
[[Category: Lapthorn AJ]]
[[Category: Roszak, A W.]]
[[Category: Roszak AW]]
[[Category: Aromatic amino acid biosynthesis]]
[[Category: Dehydroquinase]]
[[Category: Dhq]]
[[Category: Lyase]]
[[Category: Shikimate]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Feb 17 11:39:40 2009''

Latest revision as of 16:07, 13 December 2023

Crystal structure of type II Dehydroquintae Dehydratase from Streptomyces coelicolor in complex with 3-fluoroCrystal structure of type II Dehydroquintae Dehydratase from Streptomyces coelicolor in complex with 3-fluoro

Structural highlights

1v1j is a 12 chain structure with sequence from Streptomyces coelicolor. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.2Å
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

AROQ_STRCO Catalyzes a trans-dehydration via an enolate intermediate (By similarity).[HAMAP-Rule:MF_00169]

Evolutionary Conservation

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

Publication Abstract from PubMed

The fluoro analogue of the enolate intermediate in the reaction catalyzed by type II dehydroquinases has been prepared from naturally occurring (-)-quinic acid over seven steps and has been shown to be the most potent inhibitor reported to date of the type II enzyme from Mycobacterium tuberculosis.

(1R,4S,5R)-3-Fluoro-1,4,5-trihydroxy-2-cyclohexene-1-carboxylic acid: the fluoro analogue of the enolate intermediate in the reaction catalyzed by type II dehydroquinases.,Frederickson M, Roszak AW, Coggins JR, Lapthorn AJ, Abell C Org Biomol Chem. 2004 Jun 7;2(11):1592-6. Epub 2004 May 6. PMID:15162210[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

See Also

References

  1. ↑ Frederickson M, Roszak AW, Coggins JR, Lapthorn AJ, Abell C. (1R,4S,5R)-3-Fluoro-1,4,5-trihydroxy-2-cyclohexene-1-carboxylic acid: the fluoro analogue of the enolate intermediate in the reaction catalyzed by type II dehydroquinases. Org Biomol Chem. 2004 Jun 7;2(11):1592-6. Epub 2004 May 6. PMID:15162210 doi:10.1039/b404535a

1v1j, resolution 2.20Å

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