2vvt: Difference between revisions

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[[Image:~~2vvt~~.~~png~~|~~left~~|~~200px~~]]

==GLUTAMATE RACEMASE (MURI) FROM E. FAECALIS IN COMPLEX WITH A 9-BENZYL PURINE INHIBITOR==

== Structural highlights ==

<table><tr><td colspan='2'>[[2vvt]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Enterococcus_faecalis Enterococcus faecalis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VVT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VVT FirstGlance]. <br>

</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DGL:D-GLUTAMIC+ACID'>DGL</scene>, <scene name='pdbligand=I24:2-BUTOXY-9-(2,6-DIFLUOROBENZYL)-N-(2-MORPHOLIN-4-YLETHYL)-9H-PURIN-6-AMINE'>I24</scene><br>

<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2jfp|2jfp]], [[2jfo|2jfo]]</td></tr>

<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glutamate_racemase Glutamate racemase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.1.1.3 5.1.1.3] </span></td></tr>

<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=2vvt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vvt OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vvt RCSB], [http://www.ebi.ac.uk/pdbsum/2vvt PDBsum]</span></td></tr>

<table>

== Evolutionary Conservation ==

[[Image:Consurf_key_small.gif|200px|right]]

Check<jmol>

<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/vv/2vvt_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/chain_selection.php?pdb_ID=2ata ConSurf].

== Publication Abstract from PubMed ==

An early SAR study of a screening hit series has generated a series of 9-benzyl purines as inhibitors of bacterial glutamate racemase (MurI) with micromolar enzyme potency and improved physical properties. X-ray co-crystal EI structures were obtained.

~~{{STRUCTURE_2vvt| PDB=2vvt | SCENE= }}~~

Exploring 9-benzyl purines as inhibitors of glutamate racemase (MurI) in Gram-positive bacteria.,Geng B, Breault G, Comita-Prevoir J, Petrichko R, Eyermann C, Lundqvist T, Doig P, Gorseth E, Noonan B Bioorg Med Chem Lett. 2008 Aug 1;18(15):4368-72. Epub 2008 Jun 24. PMID:18614367<ref>PMID:18614367</ref>

~~===GLUTAMATE RACEMASE (MURI) FROM E~~. ~~FAECALIS IN COMPLEX WITH A 9-BENZYL PURINE INHIBITOR===~~

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

</div>

~~{{ABSTRACT_PUBMED_18614367}}~~

==See Also==

*[[Glutamate racemase|Glutamate racemase]]

==~~About this Structure~~==

== References ==

[[~~2vvt]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Enterococcus_faecalis Enterococcus faecalis~~]~~. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VVT OCA~~].

__TOC__

==~~Reference~~==

</StructureSection>

<~~ref group="xtra">PMID:018614367<~~/~~ref~~><~~references group="xtra"~~/>

[[Category: Enterococcus faecalis]]

[[Category: Glutamate racemase]]

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@@ Line 1: / Line 1: @@
-[[Image:2vvt.png|left|200px]]
+==GLUTAMATE RACEMASE (MURI) FROM E. FAECALIS IN COMPLEX WITH A 9-BENZYL PURINE INHIBITOR==
+<StructureSection load='2vvt' size='340' side='right' caption='[[2vvt]], [[Resolution|resolution]] 1.65&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[2vvt]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Enterococcus_faecalis Enterococcus faecalis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VVT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2VVT FirstGlance]. <br>
+</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DGL:D-GLUTAMIC+ACID'>DGL</scene>, <scene name='pdbligand=I24:2-BUTOXY-9-(2,6-DIFLUOROBENZYL)-N-(2-MORPHOLIN-4-YLETHYL)-9H-PURIN-6-AMINE'>I24</scene><br>
+<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2jfp|2jfp]], [[2jfo|2jfo]]</td></tr>
+<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glutamate_racemase Glutamate racemase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.1.1.3 5.1.1.3] </span></td></tr>
+<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=2vvt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vvt OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2vvt RCSB], [http://www.ebi.ac.uk/pdbsum/2vvt PDBsum]</span></td></tr>
+<table>
+== 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/vv/2vvt_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/chain_selection.php?pdb_ID=2ata ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+An early SAR study of a screening hit series has generated a series of 9-benzyl purines as inhibitors of bacterial glutamate racemase (MurI) with micromolar enzyme potency and improved physical properties. X-ray co-crystal EI structures were obtained.
-{{STRUCTURE_2vvt|  PDB=2vvt  |  SCENE=  }}
+Exploring 9-benzyl purines as inhibitors of glutamate racemase (MurI) in Gram-positive bacteria.,Geng B, Breault G, Comita-Prevoir J, Petrichko R, Eyermann C, Lundqvist T, Doig P, Gorseth E, Noonan B Bioorg Med Chem Lett. 2008 Aug 1;18(15):4368-72. Epub 2008 Jun 24. PMID:18614367<ref>PMID:18614367</ref>
-===GLUTAMATE RACEMASE (MURI) FROM E. FAECALIS IN COMPLEX WITH A 9-BENZYL PURINE INHIBITOR===
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-{{ABSTRACT_PUBMED_18614367}}
+==See Also==
+*[[Glutamate racemase|Glutamate racemase]]
-==About this Structure==
+== References ==
-[[2vvt]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Enterococcus_faecalis Enterococcus faecalis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VVT OCA].
+<references/>
+__TOC__
-==Reference==
+</StructureSection>
-<ref group="xtra">PMID:018614367</ref><references group="xtra"/>
 [[Category: Enterococcus faecalis]]
 [[Category: Glutamate racemase]]