2bt4: Difference between revisions

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[[Image:2bt4.gif|left|200px]]


{{Structure
==Type II Dehydroquinase inhibitor complex==
|PDB= 2bt4 |SIZE=350|CAPTION= <scene name='initialview01'>2bt4</scene>, resolution 1.70&Aring;
<StructureSection load='2bt4' size='340' side='right'caption='[[2bt4]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
|SITE= <scene name='pdbsite=AC1:Trs+Binding+Site+For+Chain+L'>AC1</scene>
== Structural highlights ==
|LIGAND= <scene name='pdbligand=CA2:(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC+ACID'>CA2</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene>
<table><tr><td colspan='2'>[[2bt4]] 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=2BT4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2BT4 FirstGlance]. <br>
|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/3-dehydroquinate_dehydratase 3-dehydroquinate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10] </span>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.7&#8491;</td></tr>
|GENE=
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA2:(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC+ACID'>CA2</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></td></tr>
|DOMAIN=
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2bt4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bt4 OCA], [https://pdbe.org/2bt4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2bt4 RCSB], [https://www.ebi.ac.uk/pdbsum/2bt4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2bt4 ProSAT]</span></td></tr>
|RELATEDENTRY=
</table>
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bt4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bt4 OCA], [http://www.ebi.ac.uk/pdbsum/2bt4 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2bt4 RCSB]</span>
== 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/bt/2bt4_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=2bt4 ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Selective inhibitors of type II dehydroquinase were rationally designed to explore a second binding-pocket in the active-site. The molecular modelling, synthesis, inhibition studies and crystal structure determination are described.


'''TYPE II DEHYDROQUINASE INHIBITOR COMPLEX'''
Rational design of new bifunctional inhibitors of type II dehydroquinase.,Toscano MD, Stewart KA, Coggins JR, Lapthorn AJ, Abell C Org Biomol Chem. 2005 Sep 7;3(17):3102-4. Epub 2005 Aug 1. PMID:16106291<ref>PMID:16106291</ref>


From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 2bt4" style="background-color:#fffaf0;"></div>


==Overview==
==See Also==
Selective inhibitors of type II dehydroquinase were rationally designed to explore a second binding-pocket in the active-site. The molecular modelling, synthesis, inhibition studies and crystal structure determination are described.
*[[Dehydroquinase 3D structures|Dehydroquinase 3D structures]]
 
== References ==
==About this Structure==
<references/>
2BT4 is a [[Single protein]] structure of sequence 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=2BT4 OCA].
__TOC__
 
</StructureSection>
==Reference==
[[Category: Large Structures]]
Rational design of new bifunctional inhibitors of type II dehydroquinase., Toscano MD, Stewart KA, Coggins JR, Lapthorn AJ, Abell C, Org Biomol Chem. 2005 Sep 7;3(17):3102-4. Epub 2005 Aug 1. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16106291 16106291]
[[Category: 3-dehydroquinate dehydratase]]
[[Category: Single protein]]
[[Category: Streptomyces coelicolor]]
[[Category: Streptomyces coelicolor]]
[[Category: Abell, C.]]
[[Category: Abell C]]
[[Category: Coggins, J R.]]
[[Category: Coggins JR]]
[[Category: Lapthorn, A J.]]
[[Category: Lapthorn AJ]]
[[Category: Stewart, K A.]]
[[Category: Stewart KA]]
[[Category: Toscano, M D.]]
[[Category: Toscano MD]]
[[Category: amino-acid biosynthesis]]
[[Category: aromatic amino acid biosynthesis]]
[[Category: dehydroquinase]]
[[Category: dehydroquinate]]
[[Category: drug design]]
[[Category: lyase]]
[[Category: shikimate pathway]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:11:20 2008''

Latest revision as of 13:55, 13 December 2023

Type II Dehydroquinase inhibitor complex

2bt4, resolution 1.70Å

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