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3aua

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==Crystal structure of the quaternary complex-2 of an isomerase==
==Crystal structure of the quaternary complex-2 of an isomerase==
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<StructureSection load='3aua' size='340' side='right' caption='[[3aua]], [[Resolution|resolution]] 2.15&Aring;' scene=''>
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<StructureSection load='3aua' size='340' side='right'caption='[[3aua]], [[Resolution|resolution]] 2.15&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3aua]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3AUA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3AUA FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3aua]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3AUA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3AUA FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=F98:3-[ETHANOYL(HYDROXY)AMINO]PROPYLPHOSPHONIC+ACID'>F98</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
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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]] 2.15&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3au8|3au8]], [[3au9|3au9]]</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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=F98:3-[ETHANOYL(HYDROXY)AMINO]PROPYLPHOSPHONIC+ACID'>F98</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">dxr ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5833 Plasmodium falciparum])</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=3aua FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3aua OCA], [https://pdbe.org/3aua PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3aua RCSB], [https://www.ebi.ac.uk/pdbsum/3aua PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3aua ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3aua FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3aua OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3aua RCSB], [http://www.ebi.ac.uk/pdbsum/3aua PDBsum]</span></td></tr>
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</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/DXR_PLAFX DXR_PLAFX] Catalyzes the NADP-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP).<ref>PMID:10477522</ref>
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The human malaria parasite Plasmodium falciparum is responsible for the deaths of more than a million people each year. Fosmidomycin has been proven to be efficient in the treatment of P. falciparum malaria by inhibiting 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR), an enzyme of the non-mevalonate pathway, which is absent in humans. However, the structural details of DXR inhibition by fosmidomycin in P. falciparum are unknown. Here, we report the crystal structures of fosmidomycin-bound complete quaternary complexes of PfDXR. Our study revealed that (i) an intrinsic flexibility of the PfDXR molecule accounts for an induced-fit movement to accommodate the bound inhibitor in the active site and (ii) a cis arrangement of the oxygen atoms of the hydroxamate group of the bound inhibitor is essential for tight binding of the inhibitor to the active site metal. We expect the present structures to be useful guides for the design of more effective antimalarial compounds.
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Molecular basis of fosmidomycin's action on the human malaria parasite Plasmodium falciparum.,Umeda T, Tanaka N, Kusakabe Y, Nakanishi M, Kitade Y, Nakamura KT Sci Rep. 2011;1:9. doi: 10.1038/srep00009. Epub 2011 Jun 14. PMID:22355528<ref>PMID:22355528</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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==See Also==
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</div>
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*[[DXP reductoisomerase 3D Structures|DXP reductoisomerase 3D Structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Large Structures]]
[[Category: Plasmodium falciparum]]
[[Category: Plasmodium falciparum]]
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[[Category: Kitade, Y]]
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[[Category: Kitade Y]]
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[[Category: Kusakabe, Y]]
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[[Category: Kusakabe Y]]
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[[Category: Nakamura, K T]]
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[[Category: Nakamura KT]]
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[[Category: Nakanishi, M]]
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[[Category: Nakanishi M]]
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[[Category: Tanaka, N]]
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[[Category: Tanaka N]]
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[[Category: Umeda, T]]
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[[Category: Umeda T]]
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[[Category: Isomerase-isomerase inhibitor complex]]
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[[Category: Nadph binding]]
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Current revision

Crystal structure of the quaternary complex-2 of an isomerase

PDB ID 3aua

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