3r0i

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<StructureSection load='3r0i' size='340' side='right'caption='[[3r0i]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
<StructureSection load='3r0i' size='340' side='right'caption='[[3r0i]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3r0i]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Ecoli Ecoli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3R0I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3R0I FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3r0i]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3R0I OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3R0I FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C0K:{(1S)-1-(3,4-DIFLUOROPHENYL)-4-[HYDROXY(METHYL)AMINO]-4-OXOBUTYL}PHOSPHONIC+ACID'>C0K</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.1&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1k5h|1k5h]], [[1onp|1onp]], [[1q0l|1q0l]]</div></td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C0K:{(1S)-1-(3,4-DIFLUOROPHENYL)-4-[HYDROXY(METHYL)AMINO]-4-OXOBUTYL}PHOSPHONIC+ACID'>C0K</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">dxr, ispC, yaeM, b0173, JW0168 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 ECOLI])</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/1-deoxy-D-xylulose-5-phosphate_reductoisomerase 1-deoxy-D-xylulose-5-phosphate reductoisomerase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.267 1.1.1.267] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3r0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3r0i OCA], [https://pdbe.org/3r0i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3r0i RCSB], [https://www.ebi.ac.uk/pdbsum/3r0i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3r0i ProSAT]</span></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=3r0i FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3r0i OCA], [https://pdbe.org/3r0i PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3r0i RCSB], [https://www.ebi.ac.uk/pdbsum/3r0i PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3r0i ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[https://www.uniprot.org/uniprot/DXR_ECOLI DXR_ECOLI]] Catalyzes the NADP-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP).[HAMAP-Rule:MF_00183]
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[https://www.uniprot.org/uniprot/DXR_ECOLI DXR_ECOLI] Catalyzes the NADP-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP).[HAMAP-Rule:MF_00183]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Reverse hydroxamate-based inhibitors of IspC, a key enzyme of the non-mevalonate pathway of isoprenoid biosynthesis and a potential antimalarial target, were synthesized and biologically evaluated. The binding mode of one derivative in complex with EcIspC and a divalent metal ion was clarified by X-ray analysis. Pilot experiments have demonstrated in vivo potential.
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Reverse Fosmidomycin Derivatives against the Antimalarial Drug Target IspC (Dxr).,Behrendt CT, Kunfermann A, Illarionova V, Matheeussen A, Pein MK, Grawert T, Kaiser J, Bacher A, Eisenreich W, Illarionov B, Fischer M, Maes L, Groll M, Kurz T J Med Chem. 2011 Aug 25. PMID:21866890<ref>PMID:21866890</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3r0i" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
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*[[DXP reductoisomerase|DXP reductoisomerase]]
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*[[DXP reductoisomerase 3D Structures|DXP reductoisomerase 3D Structures]]
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: 1-deoxy-D-xylulose-5-phosphate reductoisomerase]]
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[[Category: Escherichia coli K-12]]
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[[Category: Ecoli]]
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[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Bacher, A]]
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[[Category: Bacher A]]
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[[Category: Behrendt, C T]]
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[[Category: Behrendt CT]]
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[[Category: Eisenreich, W]]
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[[Category: Eisenreich W]]
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[[Category: Fischer, M]]
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[[Category: Fischer M]]
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[[Category: Graewert, T]]
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[[Category: Graewert T]]
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[[Category: Groll, M]]
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[[Category: Groll M]]
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[[Category: Illarionov, B]]
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[[Category: Illarionov B]]
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[[Category: Illarionova, V]]
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[[Category: Illarionova V]]
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[[Category: Kunfermann, A]]
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[[Category: Kunfermann A]]
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[[Category: Kurz, T]]
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[[Category: Kurz T]]
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[[Category: Maes, L]]
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[[Category: Maes L]]
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[[Category: Matheeussen, A]]
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[[Category: Matheeussen A]]
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[[Category: Pein, M K]]
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[[Category: Pein MK]]
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[[Category: Antimalarial agent]]
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[[Category: Cytosol]]
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[[Category: Inhibitor]]
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[[Category: ISPC, Israel Structural Proteomics Center]]
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[[Category: Mn]]
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[[Category: Nadph]]
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[[Category: Non-mevalonate pathway]]
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[[Category: Oxidoreductase-antibiotic complex]]
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[[Category: Reductoisomerase of desoxy-xylulose-5p to methyl-erythritol-3p]]
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[[Category: Reverse hydroxamic acid ligand binding]]
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[[Category: Rossmann fold]]
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Current revision

IspC in complex with an N-methyl-substituted hydroxamic acid

PDB ID 3r0i

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Proteopedia Page Contributors and Editors (what is this?)

OCA

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