2jt6
From Proteopedia
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|PDB= 2jt6 |SIZE=350|CAPTION= <scene name='initialview01'>2jt6</scene> | |PDB= 2jt6 |SIZE=350|CAPTION= <scene name='initialview01'>2jt6</scene> | ||
|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> | |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> | ||
| - | |LIGAND= <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=JT6:3-[(4'-CYANOBIPHENYL-4-YL)OXY]-N-HYDROXYPROPANAMIDE'>JT6</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> |
| - | |ACTIVITY= [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] | + | |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> |
|GENE= MMP3, STMY1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |GENE= MMP3, STMY1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
| + | |DOMAIN= | ||
| + | |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> | ||
}} | }} | ||
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[[Category: Donaire, A.]] | [[Category: Donaire, A.]] | ||
[[Category: Gonnelli, L.]] | [[Category: Gonnelli, L.]] | ||
| - | [[Category: CA]] | ||
| - | [[Category: JT6]] | ||
| - | [[Category: ZN]] | ||
[[Category: calcium]] | [[Category: calcium]] | ||
[[Category: collagen degradation]] | [[Category: collagen degradation]] | ||
| Line 46: | Line 46: | ||
[[Category: zymogen]] | [[Category: zymogen]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:01:27 2008'' |
Revision as of 01:01, 31 March 2008
| |||||||
| Sites: | , , , and | ||||||
| Ligands: | , , | ||||||
| Gene: | MMP3, STMY1 (Homo sapiens) | ||||||
| Activity: | Stromelysin 1, with EC number 3.4.24.17 | ||||||
| Related: | 2JNP, 2JT5
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of 3-4'-cyanobyphenyl-4-yloxy)-n-hdydroxypropionamide (MMP-3 inhibitor VII)
Overview
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 Structure
2JT6 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
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 Mon Mar 31 04:01:27 2008
Categories: Homo sapiens | Single protein | Stromelysin 1 | Alcaraz, L A. | Banci, L. | Bertini, I. | Cantini, F. | Donaire, A. | Gonnelli, L. | Calcium | Collagen degradation | Extracellular matrix | Glycoprotein | Hydrolase | Metal-binding | Metalloprotease | Metalloproteinase | Mmp | Polymorphism | Protease | Zinc | Zymogen
