2jt6: Difference between revisions

Revision as of 09:16, 4 May 2008

Solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of 3-4'-cyanobyphenyl-4-yloxy)-n-hdydroxypropionamide (MMP-3 inhibitor VII)

OverviewOverview

We structurally characterized the adducts of the catalytic domain of matrix metalloproteinase-3 (MMP3) with three different nonpeptidic inhibitors by solving the solution structure of one adduct [MMP3-N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid] and then by calculating structural models of the other two adducts using a reduced set of experimental NMR data, following a recently proposed procedure (Bertini et al. in J. Med. Chem. 48:7544-7559, 2005). The inhibitors were selected with the criteria of maintaining in all of them the same zinc-coordinating moiety and of selectively changing the substituents and/or the functional groups. The backbone dynamics on various time scales have been characterized as well. The comparison among these structures and with others previously reported allowed us to elucidate fine details of inhibitor-receptor interactions and to develop some criteria, which could guide in optimizing the design of selective inhibitors.

About this StructureAbout this Structure

2JT6 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

Matrix metalloproteinase-inhibitor interaction: the solution structure of the catalytic domain of human matrix metalloproteinase-3 with different inhibitors., Alcaraz LA, Banci L, Bertini I, Cantini F, Donaire A, Gonnelli L, J Biol Inorg Chem. 2007 Nov;12(8):1197-206. Epub 2007 Aug 21. PMID:17710450 Page seeded by OCA on Sun May 4 09:16:17 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
 [[Image:2jt6.jpg|left|200px]]
- {{Structure
+<!--
-|PDB= 2jt6 |SIZE=350|CAPTION= <scene name='initialview01'>2jt6</scene>
+The line below this paragraph, containing "STRUCTURE_2jt6", creates the "Structure Box" on the page.
-|SITE= <scene name='pdbsite=AC1:Zn+Binding+Site+For+Residue+A+256'>AC1</scene>, <scene name='pdbsite=AC2:Zn+Binding+Site+For+Residue+A+257'>AC2</scene>, <scene name='pdbsite=AC3:Ca+Binding+Site+For+Residue+A+258'>AC3</scene>, <scene name='pdbsite=AC4:Ca+Binding+Site+For+Residue+A+259'>AC4</scene> and <scene name='pdbsite=AC5:Jt6+Binding+Site+For+Residue+A+1'>AC5</scene>
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=JT6:3-[(4&#39;-CYANOBIPHENYL-4-YL)OXY]-N-HYDROXYPROPANAMIDE'>JT6</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Stromelysin_1 Stromelysin 1], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.17 3.4.24.17] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE= MMP3, STMY1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
+-->
-|DOMAIN=
+{{STRUCTURE_2jt6|  PDB=2jt6  |  SCENE=  }}
-|RELATEDENTRY=[[2jnp|2JNP]], [[2jt5|2JT5]]
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2jt6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2jt6 OCA], [http://www.ebi.ac.uk/pdbsum/2jt6 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2jt6 RCSB]</span>
-}}
 '''Solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of 3-4'-cyanobyphenyl-4-yloxy)-n-hdydroxypropionamide (MMP-3 inhibitor VII)'''
@@ Line 32: / Line 29: @@
 [[Category: Donaire, A.]]
 [[Category: Gonnelli, L.]]
-[[Category: calcium]]
+[[Category: Calcium]]
-[[Category: collagen degradation]]
+[[Category: Collagen degradation]]
-[[Category: extracellular matrix]]
+[[Category: Extracellular matrix]]
-[[Category: glycoprotein]]
+[[Category: Glycoprotein]]
-[[Category: hydrolase]]
+[[Category: Hydrolase]]
-[[Category: metal-binding]]
+[[Category: Metal-binding]]
-[[Category: metalloprotease]]
+[[Category: Metalloprotease]]
-[[Category: metalloproteinase]]
+[[Category: Metalloproteinase]]
-[[Category: mmp]]
+[[Category: Mmp]]
-[[Category: polymorphism]]
+[[Category: Polymorphism]]
-[[Category: protease]]
+[[Category: Protease]]
-[[Category: zinc]]
+[[Category: Zinc]]
-[[Category: zymogen]]
+[[Category: Zymogen]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 09:16:17 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:01:27 2008''