4lrr
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Ternary complex between E. coli thymidylate synthase, dUMP, and F9== | |
| + | <StructureSection load='4lrr' size='340' side='right'caption='[[4lrr]], [[Resolution|resolution]] 2.41Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4lrr]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_O157:H7 Escherichia coli O157:H7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4LRR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4LRR 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]] 2.41Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=CF9:2-OXO-2H-NAPHTHO[1,8-BC]FURAN-6-YL+4-NITROBENZOATE'>CF9</scene>, <scene name='pdbligand=SCH:S-METHYL-THIO-CYSTEINE'>SCH</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</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=4lrr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4lrr OCA], [https://pdbe.org/4lrr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4lrr RCSB], [https://www.ebi.ac.uk/pdbsum/4lrr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4lrr ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/TYSY_ECO57 TYSY_ECO57] Provides the sole de novo source of dTMP for DNA biosynthesis (By similarity). | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Thymidylate synthase (TS) is a target for antifolate-based chemotherapies of microbial and human diseases. Here, ligand-based, synthetic and X-ray crystallography studies led to the discovery of 6-(3-cyanobenzoyloxy)-2-oxo-2H-naphto[1,8-bc]furan, a novel inhibitor with a Ki of 310 nM against Pneumocystis carinii TS. The X-ray ternary complex with Escherichia coli TS revealed, for the first time, displacement of the substrate towards the dimeric protein interface, thus providing new opportunities for further design of specific inhibitors of microbial pathogens. | ||
| - | + | 2'-deoxyuridine-5'-monophosphate substrate displacement in thymidylate synthase through 6-hydroxy-2H-naphtho[1,8-bc]furan-2-one derivatives.,Ferrari S, Calo S, Leone R, Luciani R, Costantino L, Sammak S, Di Pisa F, Pozzi C, Mangani S, Costi MP J Med Chem. 2013 Oct 22. PMID:24147825<ref>PMID:24147825</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 4lrr" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Thymidylate synthase 3D structures|Thymidylate synthase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Escherichia coli O157:H7]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Costi MP]] | ||
| + | [[Category: Ferrari S]] | ||
| + | [[Category: Mangani S]] | ||
| + | [[Category: Pozzi C]] | ||
Current revision
Ternary complex between E. coli thymidylate synthase, dUMP, and F9
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