1jvs

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(New page: 200px<br /><applet load="1jvs" size="450" color="white" frame="true" align="right" spinBox="true" caption="1jvs, resolution 2.2&Aring;" /> '''Crystal structure of ...)
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[[Image:1jvs.gif|left|200px]]<br /><applet load="1jvs" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1jvs, resolution 2.2&Aring;" />
 
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'''Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase; a target enzyme for antimalarial drugs'''<br />
 
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==Overview==
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==Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase; a target enzyme for antimalarial drugs==
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The key enzyme in the nonmevalonate pathway, 1-deoxy-D-xylulose, 5-phosphate reductoisomerase (DXR), has been shown to be an effective, target of antimalarial drugs. Here we report the crystal structure of DXR, complexed with NADPH and a sulfate ion from Escherichia coli at 2.2 A, resolution. The structure showed the presence of an extra domain, which is, absent from other NADPH-dependent oxidoreductases, in addition to the, conformation of catalytic residues and the substrate binding site. A, flexible loop covering the substrate binding site plays an important role, in the enzymatic reaction and the determination of substrate specificity.
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<StructureSection load='1jvs' size='340' side='right'caption='[[1jvs]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1jvs]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1JVS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1JVS 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]] 2.2&#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=MSE:SELENOMETHIONINE'>MSE</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=1jvs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jvs OCA], [https://pdbe.org/1jvs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1jvs RCSB], [https://www.ebi.ac.uk/pdbsum/1jvs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1jvs ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/DXR_ECOLI DXR_ECOLI] Catalyzes the NADP-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP).[HAMAP-Rule:MF_00183]
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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/jv/1jvs_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=1jvs ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The key enzyme in the nonmevalonate pathway, 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR), has been shown to be an effective target of antimalarial drugs. Here we report the crystal structure of DXR complexed with NADPH and a sulfate ion from Escherichia coli at 2.2 A resolution. The structure showed the presence of an extra domain, which is absent from other NADPH-dependent oxidoreductases, in addition to the conformation of catalytic residues and the substrate binding site. A flexible loop covering the substrate binding site plays an important role in the enzymatic reaction and the determination of substrate specificity.
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==About this Structure==
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Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase complexed with cofactors: implications of a flexible loop movement upon substrate binding.,Yajima S, Nonaka T, Kuzuyama T, Seto H, Ohsawa K J Biochem. 2002 Mar;131(3):313-7. PMID:11872159<ref>PMID:11872159</ref>
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1JVS is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] with SO4 and NDP as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/1-deoxy-D-xylulose-5-phosphate_reductoisomerase 1-deoxy-D-xylulose-5-phosphate reductoisomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.267 1.1.1.267] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1JVS OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase complexed with cofactors: implications of a flexible loop movement upon substrate binding., Yajima S, Nonaka T, Kuzuyama T, Seto H, Ohsawa K, J Biochem (Tokyo). 2002 Mar;131(3):313-7. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11872159 11872159]
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</div>
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[[Category: 1-deoxy-D-xylulose-5-phosphate reductoisomerase]]
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<div class="pdbe-citations 1jvs" style="background-color:#fffaf0;"></div>
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[[Category: Escherichia coli]]
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[[Category: Single protein]]
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[[Category: Kuzuyama, T.]]
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[[Category: Nonaka, T.]]
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[[Category: Ohsawa, K.]]
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[[Category: Seto, H.]]
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[[Category: Yajima, S.]]
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[[Category: NDP]]
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[[Category: SO4]]
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[[Category: nadph]]
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[[Category: reductoisomerase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 18:37:00 2007''
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==See Also==
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*[[DXP reductoisomerase 3D Structures|DXP reductoisomerase 3D Structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Escherichia coli]]
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[[Category: Large Structures]]
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[[Category: Kuzuyama T]]
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[[Category: Nonaka T]]
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[[Category: Ohsawa K]]
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[[Category: Seto H]]
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[[Category: Yajima S]]

Current revision

Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase; a target enzyme for antimalarial drugs

PDB ID 1jvs

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