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3tt4

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Human MMP8 in complex with L-glutamate motif inhibitor

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Retrieved from "http://52.214.119.220/wiki/index.php/3tt4"

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 ==Human MMP8 in complex with L-glutamate motif inhibitor==
-<StructureSection load='3tt4' size='340' side='right' caption='[[3tt4]], [[Resolution|resolution]] 1.88&Aring;' scene=''>
+<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>
+<table><tr><td colspan='2'>[[3tt4]] is a 1 chain structure with sequence from [https://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 [https://proteopedia.org/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>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.88&#8491;</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='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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='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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3tt4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tt4 OCA], [https://pdbe.org/3tt4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tt4 RCSB], [https://www.ebi.ac.uk/pdbsum/3tt4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tt4 ProSAT]</span></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;">
+== Function ==
-== Publication Abstract from PubMed ==
+[https://www.uniprot.org/uniprot/MMP8_HUMAN MMP8_HUMAN] Can degrade fibrillar type I, II, and III collagens.
-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.
-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>
-From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+==See Also==
-</div>
+*[[Matrix metalloproteinase 3D structures|Matrix metalloproteinase 3D structures]]
-== References ==
-<references/>
 __TOC__
 </StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Neutrophil collagenase]]
+[[Category: Large Structures]]
-[[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 EA]]
-[[Category: Vera, L]]
+[[Category: Vera L]]
-[[Category: Hydrolase-hydrolase inhibitor complex]]
-[[Category: Metzincin]]
-[[Category: Potent inhibitor]]
-[[Category: Pseudo dipeptide]]
-[[Category: Zinc metalloprotease]]

3tt4

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Human MMP8 in complex with L-glutamate motif inhibitor

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