3aua
From Proteopedia
(Difference between revisions)
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| - | + | ==Crystal structure of the quaternary complex-2 of an isomerase== | |
| - | + | <StructureSection load='3aua' size='340' side='right' caption='[[3aua]], [[Resolution|resolution]] 2.15Å' scene=''> | |
| - | + | == Structural highlights == | |
| + | <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> | ||
| + | </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> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3au8|3au8]], [[3au9|3au9]]</td></tr> | ||
| + | <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> | ||
| + | <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> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | 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. | ||
| - | + | 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> | |
| - | + | ||
| - | == | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> |
| - | + | </div> | |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Plasmodium falciparum]] | [[Category: Plasmodium falciparum]] | ||
| - | [[Category: Kitade, Y | + | [[Category: Kitade, Y]] |
| - | [[Category: Kusakabe, Y | + | [[Category: Kusakabe, Y]] |
| - | [[Category: Nakamura, K T | + | [[Category: Nakamura, K T]] |
| - | [[Category: Nakanishi, M | + | [[Category: Nakanishi, M]] |
| - | [[Category: Tanaka, N | + | [[Category: Tanaka, N]] |
| - | [[Category: Umeda, T | + | [[Category: Umeda, T]] |
[[Category: Isomerase-isomerase inhibitor complex]] | [[Category: Isomerase-isomerase inhibitor complex]] | ||
[[Category: Nadph binding]] | [[Category: Nadph binding]] | ||
Revision as of 14:23, 18 December 2014
Crystal structure of the quaternary complex-2 of an isomerase
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