3au8
From Proteopedia
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| - | + | ==Crystal structure of the ternary complex of an isomerase== | |
| - | + | <StructureSection load='3au8' size='340' side='right' caption='[[3au8]], [[Resolution|resolution]] 1.86Å' scene=''> | |
| - | + | == Structural highlights == | |
| + | <table><tr><td colspan='2'>[[3au8]] 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=3AU8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3AU8 FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</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">[[3au9|3au9]], [[3aua|3aua]]</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=3au8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3au8 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3au8 RCSB], [http://www.ebi.ac.uk/pdbsum/3au8 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]] | [[Category: Isomerase]] | ||
[[Category: Nadph binding]] | [[Category: Nadph binding]] | ||
Revision as of 14:07, 18 December 2014
Crystal structure of the ternary complex of an isomerase
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