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==Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor==
==Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor==
<StructureSection load='4gae' size='340' side='right' caption='[[4gae]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
<StructureSection load='4gae' size='340' side='right'caption='[[4gae]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[4gae]] 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=4GAE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GAE FirstGlance]. <br>
<table><tr><td colspan='2'>[[4gae]] 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=4GAE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GAE FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FOB:[(1R)-3-[ACETYL(HYDROXY)AMINO]-1-(PYRIDIN-4-YL)PROPYL]PHOSPHONIC+ACID'>FOB</scene>, <scene name='pdbligand=FOQ:[(1S)-3-[ACETYL(HYDROXY)AMINO]-1-(PYRIDIN-4-YL)PROPYL]PHOSPHONIC+ACID'>FOQ</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FOB:[(1R)-3-[ACETYL(HYDROXY)AMINO]-1-(PYRIDIN-4-YL)PROPYL]PHOSPHONIC+ACID'>FOB</scene>, <scene name='pdbligand=FOQ:[(1S)-3-[ACETYL(HYDROXY)AMINO]-1-(PYRIDIN-4-YL)PROPYL]PHOSPHONIC+ACID'>FOQ</scene>, <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]]</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=4gae FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gae OCA], [https://pdbe.org/4gae PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4gae RCSB], [https://www.ebi.ac.uk/pdbsum/4gae PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4gae ProSAT]</span></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=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=4gae FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4gae OCA], [http://pdbe.org/4gae PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4gae RCSB], [http://www.ebi.ac.uk/pdbsum/4gae PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4gae ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[http://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>
[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;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: 1-deoxy-D-xylulose-5-phosphate reductoisomerase]]
[[Category: Large Structures]]
[[Category: Plafx]]
[[Category: Plasmodium falciparum HB3]]
[[Category: Cai, G]]
[[Category: Cai G]]
[[Category: Deng, L]]
[[Category: Deng L]]
[[Category: Diao, J]]
[[Category: Diao J]]
[[Category: Song, Y]]
[[Category: Song Y]]
[[Category: Xue, J]]
[[Category: Xue J]]
[[Category: Isomerase-isomerase inhibitor complex]]
[[Category: Nadph binding]]

Revision as of 06:45, 26 October 2022

Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor

4gae, resolution 2.30Å

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