2bt4

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[[Image:2bt4.gif|left|200px]]<br /><applet load="2bt4" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2bt4.gif|left|200px]]
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caption="2bt4, resolution 1.70&Aring;" />
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'''TYPE II DEHYDROQUINASE INHIBITOR COMPLEX'''<br />
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{{Structure
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|PDB= 2bt4 |SIZE=350|CAPTION= <scene name='initialview01'>2bt4</scene>, resolution 1.70&Aring;
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|SITE= <scene name='pdbsite=AC1:Trs+Binding+Site+For+Chain+L'>AC1</scene>
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|LIGAND= <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=CA2:(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC+ACID'>CA2</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene> and <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>
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|ACTIVITY= [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]
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|GENE=
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}}
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'''TYPE II DEHYDROQUINASE INHIBITOR COMPLEX'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2BT4 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor] with <scene name='pdbligand=PO4:'>PO4</scene>, <scene name='pdbligand=CA2:'>CA2</scene>, <scene name='pdbligand=TRS:'>TRS</scene> and <scene name='pdbligand=GOL:'>GOL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Known structural/functional Site: <scene name='pdbsite=AC1:Trs+Binding+Site+For+Chain+L'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BT4 OCA].
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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].
==Reference==
==Reference==
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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://ispc.weizmann.ac.il//pmbin/getpm?pmid=16106291 16106291]
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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: 3-dehydroquinate dehydratase]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: shikimate pathway]]
[[Category: shikimate pathway]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:41:21 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:06:23 2008''

Revision as of 14:06, 20 March 2008

Image:2bt4.gif


PDB ID 2bt4

Drag the structure with the mouse to rotate
, resolution 1.70Å
Sites:
Ligands: , , and
Activity: 3-dehydroquinate dehydratase, with EC number 4.2.1.10
Coordinates: save as pdb, mmCIF, xml



TYPE II DEHYDROQUINASE INHIBITOR COMPLEX


Overview

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.

About this Structure

2BT4 is a Single protein structure of sequence from Streptomyces coelicolor. Full crystallographic information is available from OCA.

Reference

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

Page seeded by OCA on Thu Mar 20 16:06:23 2008

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