4lrr
From Proteopedia
(Difference between revisions)
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| - | + | ==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 [http://en.wikipedia.org/wiki/Eco57 Eco57]. 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 [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4LRR FirstGlance]. <br> | |
| - | ==Function== | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CF9:2-OXO-2H-NAPHTHO[1,8-BC]FURAN-6-YL+4-NITROBENZOATE'>CF9</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr> |
| + | <tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=SCH:S-METHYL-THIO-CYSTEINE'>SCH</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4lrp|4lrp]]</td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">thyA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83334 ECO57])</td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Thymidylate_synthase Thymidylate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.45 2.1.1.45] </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=4lrr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4lrr OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4lrr RCSB], [http://www.ebi.ac.uk/pdbsum/4lrr PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
[[http://www.uniprot.org/uniprot/TYSY_ECO57 TYSY_ECO57]] Provides the sole de novo source of dTMP for DNA biosynthesis (By similarity). | [[http://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> | |
| - | == | + | ==See Also== |
| - | + | *[[Thymidylate synthase|Thymidylate synthase]] | |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Eco57]] | [[Category: Eco57]] | ||
[[Category: Thymidylate synthase]] | [[Category: Thymidylate synthase]] | ||
| - | [[Category: Costi, M P | + | [[Category: Costi, M P]] |
| - | [[Category: Ferrari, S | + | [[Category: Ferrari, S]] |
| - | [[Category: Mangani, S | + | [[Category: Mangani, S]] |
| - | [[Category: Pozzi, C | + | [[Category: Pozzi, C]] |
[[Category: Beta-mercaptoethanol modified cysteine]] | [[Category: Beta-mercaptoethanol modified cysteine]] | ||
[[Category: N-terminal acetylated methionine]] | [[Category: N-terminal acetylated methionine]] | ||
[[Category: Thymidine monophosphate synthesis]] | [[Category: Thymidine monophosphate synthesis]] | ||
[[Category: Transferase]] | [[Category: Transferase]] | ||
Revision as of 08:09, 25 December 2014
Ternary complex between E. coli thymidylate synthase, dUMP, and F9
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