1qxw

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[[Image:1qxw.jpg|left|200px]]<br /><applet load="1qxw" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="1qxw, resolution 1.67&Aring;" />
 
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'''Crystal structure of Staphyloccocus aureus in complex with an aminoketone inhibitor 54135.'''<br />
 
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==Overview==
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==Crystal structure of Staphyloccocus aureus in complex with an aminoketone inhibitor 54135.==
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High-resolution crystal structures of Staphylococcus aureus methionine aminopeptidase I in complex with various keto heterocycles and aminoketones were determined, and the intermolecular ligand interactions with the enzyme are reported. The compounds are effective inhibitors of the S. aureus enzyme because of the formation of an uncleavable tetrahedral intermediate upon binding. The electron densities unequivocally show the enzyme-catalyzed transition-state analogue mimicking that for amide bond hydrolysis of substrates.
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<StructureSection load='1qxw' size='340' side='right'caption='[[1qxw]], [[Resolution|resolution]] 1.67&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1qxw]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QXW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1QXW FirstGlance]. <br>
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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]] 1.67&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene>, <scene name='pdbligand=M1C:(3S)-3-AMINO-1-(CYCLOPROPYLAMINO)HEPTANE-2,2-DIOL'>M1C</scene></td></tr>
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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=1qxw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qxw OCA], [https://pdbe.org/1qxw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1qxw RCSB], [https://www.ebi.ac.uk/pdbsum/1qxw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1qxw ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/MAP1_STAAM MAP1_STAAM]
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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/qx/1qxw_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=1qxw ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1QXW is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus] with <scene name='pdbligand=CO:'>CO</scene>, <scene name='pdbligand=ACT:'>ACT</scene> and <scene name='pdbligand=M1C:'>M1C</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Methionyl_aminopeptidase Methionyl aminopeptidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.11.18 3.4.11.18] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QXW OCA].
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*[[Aminopeptidase 3D structures|Aminopeptidase 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Crystal structures of Staphylococcusaureus methionine aminopeptidase complexed with keto heterocycle and aminoketone inhibitors reveal the formation of a tetrahedral intermediate., Douangamath A, Dale GE, D'Arcy A, Almstetter M, Eckl R, Frutos-Hoener A, Henkel B, Illgen K, Nerdinger S, Schulz H, Mac Sweeney A, Thormann M, Treml A, Pierau S, Wadman S, Oefner C, J Med Chem. 2004 Mar 11;47(6):1325-8. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=14998322 14998322]
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[[Category: Large Structures]]
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[[Category: Methionyl aminopeptidase]]
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[[Category: Single protein]]
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[[Category: Staphylococcus aureus]]
[[Category: Staphylococcus aureus]]
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[[Category: Arcy, A D.]]
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[[Category: D'Arcy A]]
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[[Category: Dale, G E.]]
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[[Category: Dale GE]]
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[[Category: Douangamath, A.]]
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[[Category: Douangamath A]]
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[[Category: Oefner, C.]]
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[[Category: Oefner C]]
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[[Category: ACT]]
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[[Category: CO]]
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[[Category: M1C]]
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[[Category: pita bread fold]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:44:53 2008''
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Current revision

Crystal structure of Staphyloccocus aureus in complex with an aminoketone inhibitor 54135.

PDB ID 1qxw

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