3tt4: Difference between revisions

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-[[Image:3tt4.png|left|200px]]
+==Human MMP8 in complex with L-glutamate motif inhibitor==
+<StructureSection load='3tt4' size='340' side='right' caption='[[3tt4]], [[Resolution|resolution]] 1.88&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[3tt4]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TT4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TT4 FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=E1S:N~2~-{3-[4-(5-METHYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}-L-ALPHA-GLUTAMINE'>E1S</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
+<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3dpe|3dpe]], [[2oy2|2oy2]], [[3tsk|3tsk]], [[3tvc|3tvc]], [[3ts4|3ts4]]</td></tr>
+<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">CLG1, MMP8 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
+<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Neutrophil_collagenase Neutrophil collagenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.34 3.4.24.34] </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=3tt4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tt4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tt4 RCSB], [http://www.ebi.ac.uk/pdbsum/3tt4 PDBsum]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+A series of pseudo-peptides with general formula X-l-Glu-NH(2) (with X corresponding to an acyl moiety with a long aryl-alkyl side chain) have been synthesized, evaluated as inhibitors of matrix metalloproteases (MMPs), and found to display remarkable nanomolar affinity. The loss in potency associated with a substitution of the P(2)' l-glutamate by a l-glutamine corroborates the importance of a carboxylate at this position. The binding mode of some of these inhibitors was characterized in solution and by x-ray crystallography in complex with various MMPs. The x-ray crystal structures reveal an unusual binding mode with the glutamate side chain chelating the active site zinc ion. Competition experiments between these inhibitors and acetohydroxamic acid, a small zinc-binding molecule, are in accord with the crystallographic results. One of these pseudo-dipeptides displays potency and selectivity toward MMP-12 similar to the best MMP-12 inhibitors reported to date. This novel family of pseudo peptides opens new opportunities to develop potent and selective inhibitors for several metzincins.
-{{STRUCTURE_3tt4|  PDB=3tt4  |  SCENE=  }}
+Simple pseudo-dipeptides with a P2' glutamate: a novel inhibitor family of matrix metalloproteases and other metzincins.,Devel L, Beau F, Amoura M, Vera L, Cassar-Lajeunesse E, Garcia S, Czarny B, Stura EA, Dive V J Biol Chem. 2012 Aug 3;287(32):26647-56. Epub 2012 Jun 11. PMID:22689580<ref>PMID:22689580</ref>
-===Human MMP8 in complex with L-glutamate motif inhibitor===
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-{{ABSTRACT_PUBMED_22689580}}
+== References ==
+<references/>
-==About this Structure==
+__TOC__
-[[3tt4]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TT4 OCA].
+</StructureSection>
 [[Category: Homo sapiens]]
 [[Category: Neutrophil collagenase]]
-[[Category: Beau, F.]]
+[[Category: Beau, F]]
-[[Category: Czarny, B.]]
+[[Category: Czarny, B]]
-[[Category: Devel, L.]]
+[[Category: Devel, L]]
-[[Category: Dive, V.]]
+[[Category: Dive, V]]
-[[Category: Stura, E A.]]
+[[Category: Stura, E A]]
-[[Category: Vera, L.]]
+[[Category: Vera, L]]
 [[Category: Hydrolase-hydrolase inhibitor complex]]
 [[Category: Metzincin]]