3n2v: Difference between revisions

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-[[Image:3n2v.png|left|200px]]
-<!--
+==Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-hydroxy-2-(N-hydroxyethyl)biphenyl-4-ylsulfonamido)acetamide==
-The line below this paragraph, containing "STRUCTURE_3n2v", creates the "Structure Box" on the page.
+<StructureSection load='3n2v' size='340' side='right'caption='[[3n2v]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<table><tr><td colspan='2'>[[3n2v]] 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=3N2V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3N2V FirstGlance]. <br>
-or leave the SCENE parameter empty for the default display.
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.55&#8491;</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=JT5:N~2~-(BIPHENYL-4-YLSULFONYL)-N-HYDROXY-N~2~-(2-HYDROXYETHYL)GLYCINAMIDE'>JT5</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-{{STRUCTURE_3n2v|  PDB=3n2v  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3n2v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3n2v OCA], [https://pdbe.org/3n2v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3n2v RCSB], [https://www.ebi.ac.uk/pdbsum/3n2v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3n2v ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/MMP12_HUMAN MMP12_HUMAN] May be involved in tissue injury and remodeling. Has significant elastolytic activity. Can accept large and small amino acids at the P1' site, but has a preference for leucine. Aromatic or hydrophobic residues are preferred at the P1 site, with small hydrophobic residues (preferably alanine) occupying P3.
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+N-Arylsulfonyl-based MMPs inhibitors (MMPIs) are among the most prominent inhibitors possessing nanomolar affinity. However, their poor bioavailability remains critical for the drug development of this family of molecules. The structural analysis of the complex of NNGH (the most representative member of the family) with MMP-12 provided us with the basis to effectively design simple NNGH analogues with enhanced solubility in water. Following this approach, the sec-butyl residue, not directly involved in the binding with MMP, has been replaced with hydrophilic residues thus yielding new potent inhibitors soluble in water.
-===Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-hydroxy-2-(N-hydroxyethyl)biphenyl-4-ylsulfonamido)acetamide===
+Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs).,Attolino E, Calderone V, Dragoni E, Fragai M, Richichi B, Luchinat C, Nativi C Eur J Med Chem. 2010 Oct 19. PMID:20965620<ref>PMID:20965620</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 3n2v" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_20965620}}, adds the Publication Abstract to the page
+*[[Matrix metalloproteinase 3D structures|Matrix metalloproteinase 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 20965620 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_20965620}}
+__TOC__
+</StructureSection>
-==About this Structure==
-[[3n2v]] 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=3N2V OCA].
-==Reference==
-<ref group="xtra">PMID:20965620</ref><ref group="xtra">PMID:17269766</ref><references group="xtra"/>
 [[Category: Homo sapiens]]
-[[Category: Macrophage elastase]]
+[[Category: Large Structures]]
-[[Category: Calderone, V.]]
+[[Category: Calderone V]]
-[[Category: Elastase]]
-[[Category: Extracellular matrix]]
-[[Category: Glycoprotein]]
-[[Category: Hydrolase]]
-[[Category: Hydrolase-hydrolase inhibitor complex]]
-[[Category: Matrix metalloproteinase]]
-[[Category: Metal-inding]]
-[[Category: Metallo elastase]]
-[[Category: Metalloprotease]]
-[[Category: Mmp12]]
-[[Category: Protease]]
-[[Category: Secreted]]
-[[Category: Zymogen]]