4kp7
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 4kp7 is ON HOLD until Paper Publication Authors: Kunfermann, A., Bacher, A., Groll, M. Description: Structure of Plasmodium IspC in complex with a ...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==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 [https://en.wikipedia.org/wiki/Plasmodium_falciparum_HB3 Plasmodium falciparum HB3]. 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 [https://proteopedia.org/fgij/fg.htm?mol=4KP7 FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4kp7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kp7 OCA], [https://pdbe.org/4kp7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4kp7 RCSB], [https://www.ebi.ac.uk/pdbsum/4kp7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4kp7 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [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> | ||
| + | <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> | ||
| + | <div class="pdbe-citations 4kp7" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[DXP reductoisomerase 3D Structures|DXP reductoisomerase 3D Structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Plasmodium falciparum HB3]] | ||
| + | [[Category: Bacher A]] | ||
| + | [[Category: Groll M]] | ||
| + | [[Category: Kunfermann A]] | ||
Current revision
Structure of Plasmodium IspC in complex with a beta-thia-isostere derivative of Fosmidomycin
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