4kp7: Difference between revisions
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==Structure of Plasmodium IspC in complex with a beta-thia-isostere derivative of Fosmidomycin== | |||
<StructureSection load='4kp7' size='340' side='right' caption='[[4kp7]], [[Resolution|resolution]] 2.00Å' scene=''> | |||
{ | == Structural highlights == | ||
<table><tr><td colspan='2'>[[4kp7]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Plafx Plafx]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KP7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4KP7 FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1UQ:[(S)-({2-[HYDROXY(METHYL)AMINO]-2-OXOETHYL}SULFANYL)(PHENYL)METHYL]PHOSPHONIC+ACID'>1UQ</scene>, <scene name='pdbligand=MN3:MANGANESE+(III)+ION'>MN3</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</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">codon optimized form, DXR, synthetic ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=137071 PLAFX])</td></tr> | |||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[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] </span></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=4kp7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kp7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4kp7 RCSB], [http://www.ebi.ac.uk/pdbsum/4kp7 PDBsum]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The emergence and spread of multidrug-resistant pathogens is widely believed to endanger human health. New drug targets and lead compounds exempt from cross-resistance with existing drugs are urgently needed. We report on the synthesis and properties of "reverse" thia-analogs of fosmidomycin, which inhibit the first committed enzyme of a metabolic pathway that is essential for the causative agents of tuberculosis and malaria but is absent in the human host. Notably, IspC displays a high level of enantioselectivity for an alpha-susbtituted fosmidomycin derivative. | |||
IspC as target for antiinfective drug discovery: Synthesis, enantiomeric separation and structural biology of fosmidomycin thia-isosters.,Kunfermann A, Lienau C, Illarionov B, Held J, Grawert T, Behrendt CT, Werner P, Hahn S, Eisenreich W, Riederer U, Mordmuller B, Bacher A, Fischer M, Groll M, Kurz T J Med Chem. 2013 Sep 13. PMID:24032981<ref>PMID:24032981</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
== References == | |||
== | <references/> | ||
__TOC__ | |||
</StructureSection> | |||
[[Category: 1-deoxy-D-xylulose-5-phosphate reductoisomerase]] | [[Category: 1-deoxy-D-xylulose-5-phosphate reductoisomerase]] | ||
[[Category: Plafx]] | [[Category: Plafx]] | ||
[[Category: Bacher, A | [[Category: Bacher, A]] | ||
[[Category: Groll, M | [[Category: Groll, M]] | ||
[[Category: Kunfermann, A | [[Category: Kunfermann, A]] | ||
[[Category: Apicoplast]] | [[Category: Apicoplast]] | ||
[[Category: Drug optimization]] | [[Category: Drug optimization]] | ||
