1d8m

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[[Image:1d8m.gif|left|200px]]
 
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{{Structure
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==CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A HETEROCYCLE-BASED INHIBITOR==
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|PDB= 1d8m |SIZE=350|CAPTION= <scene name='initialview01'>1d8m</scene>, resolution 2.44&Aring;
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<StructureSection load='1d8m' size='340' side='right'caption='[[1d8m]], [[Resolution|resolution]] 2.44&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=BBH:1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC+ACID+HYDROXYAMIDE'>BBH</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
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<table><tr><td colspan='2'>[[1d8m]] is a 2 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=1D8M OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1D8M FirstGlance]. <br>
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|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>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.44&#8491;</td></tr>
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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BBH:1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC+ACID+HYDROXYAMIDE'>BBH</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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|DOMAIN=
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1d8m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d8m OCA], [https://pdbe.org/1d8m PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1d8m RCSB], [https://www.ebi.ac.uk/pdbsum/1d8m PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1d8m ProSAT]</span></td></tr>
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|RELATEDENTRY=[[1cqr|1CQR]], [[1d5j|1D5J]], [[1d7x|1D7X]], [[1d8f|1D8F]]
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1d8m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d8m OCA], [http://www.ebi.ac.uk/pdbsum/1d8m PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1d8m RCSB]</span>
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== Disease ==
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}}
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[https://www.uniprot.org/uniprot/MMP3_HUMAN MMP3_HUMAN] Defects in MMP3 are the cause of susceptibility to coronary heart disease type 6 (CHDS6) [MIM:[https://omim.org/entry/614466 614466]. A multifactorial disease characterized by an imbalance between myocardial functional requirements and the capacity of the coronary vessels to supply sufficient blood flow. Decreased capacity of the coronary vessels is often associated with thickening and loss of elasticity of the coronary arteries. Note=A polymorphism in the MMP3 promoter region is associated with the risk of coronary heart disease and myocardial infarction, due to lower MMP3 proteolytic activity and higher extracellular matrix deposition in atherosclerotic lesions.<ref>PMID:8662692</ref> <ref>PMID:12477941</ref>
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== Function ==
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[https://www.uniprot.org/uniprot/MMP3_HUMAN MMP3_HUMAN] Can degrade fibronectin, laminin, gelatins of type I, III, IV, and V; collagens III, IV, X, and IX, and cartilage proteoglycans. Activates procollagenase.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/d8/1d8m_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1d8m ConSurf].
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<div style="clear:both"></div>
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'''CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A HETEROCYCLE-BASED INHIBITOR'''
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==See Also==
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*[[Matrix metalloproteinase 3D structures|Matrix metalloproteinase 3D structures]]
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== References ==
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==Overview==
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<references/>
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Potent and selective inhibition of matrix metalloproteinases was demonstrated for a series of sulfonamide-based hydroxamic acids. The design of the heterocyclic sulfonamides incorporates a six- or seven-member central ring with a P2' substituent that can be modified. Binding interactions of this substituent at the S2' site are believed to contribute to high inhibitory potency against stromelysin, collagenase-3 and gelatinases A and B, and to provide selectivity against collagenase-1 and matrilysin. An X-ray structure of a stromelysin inhibitor complex was obtained to provide insights into the SAR and selectivity trends observed for the series.
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__TOC__
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</StructureSection>
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==About this Structure==
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1D8M is a [[Single protein]] structure of 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=1D8M OCA].
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==Reference==
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Heterocycle-based MMP inhibitors with P2' substituents., Pikul S, Dunham KM, Almstead NG, De B, Natchus MG, Taiwo YO, Williams LE, Hynd BA, Hsieh LC, Janusz MJ, Gu F, Mieling GE, Bioorg Med Chem Lett. 2001 Apr 23;11(8):1009-13. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11327577 11327577]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Stromelysin 1]]
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[[Category: Almstead NG]]
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[[Category: Almstead, N G.]]
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[[Category: De B]]
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[[Category: De, B.]]
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[[Category: Dunham KM]]
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[[Category: Dunham, K M.]]
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[[Category: Gu F]]
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[[Category: Gu, F.]]
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[[Category: Hsieh LC]]
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[[Category: Hsieh, L C.]]
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[[Category: Hynd BA]]
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[[Category: Hynd, B A.]]
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[[Category: Janusz MJ]]
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[[Category: Janusz, M J.]]
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[[Category: Mieling GE]]
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[[Category: Mieling, G E.]]
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[[Category: Natchus MG]]
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[[Category: Natchus, M G.]]
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[[Category: Pikul S]]
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[[Category: Pikul, S.]]
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[[Category: Taiwo YO]]
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[[Category: Taiwo, Y O.]]
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[[Category: Williams LE]]
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[[Category: Williams, L E.]]
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[[Category: inhibited]]
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[[Category: mixed alpha beta structure]]
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[[Category: zinc protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 19:36:50 2008''
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Current revision

CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A HETEROCYCLE-BASED INHIBITOR

PDB ID 1d8m

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