3h2c: Difference between revisions
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==Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase== | ==Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase== | ||
<StructureSection load='3h2c' size='340' side='right' caption='[[3h2c]], [[Resolution|resolution]] 2.60Å' scene=''> | <StructureSection load='3h2c' size='340' side='right' caption='[[3h2c]], [[Resolution|resolution]] 2.60Å' scene=''> | ||
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">folP, BAO_0074 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=191218 Bacillus anthracis A2012])</td></tr> | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">folP, BAO_0074 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=191218 Bacillus anthracis A2012])</td></tr> | ||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydropteroate_synthase Dihydropteroate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.15 2.5.1.15] </span></td></tr> | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydropteroate_synthase Dihydropteroate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.15 2.5.1.15] </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=3h2c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3h2c OCA], [http://pdbe.org/3h2c PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3h2c RCSB], [http://www.ebi.ac.uk/pdbsum/3h2c PDBsum]</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=3h2c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3h2c OCA], [http://pdbe.org/3h2c PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3h2c RCSB], [http://www.ebi.ac.uk/pdbsum/3h2c PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3h2c ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Evolutionary Conservation == | == Evolutionary Conservation == | ||
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</div> | </div> | ||
<div class="pdbe-citations 3h2c" style="background-color:#fffaf0;"></div> | <div class="pdbe-citations 3h2c" style="background-color:#fffaf0;"></div> | ||
== References == | == References == | ||
<references/> | <references/> | ||
Revision as of 10:19, 1 November 2017
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate SynthaseStructural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
Structural highlights
Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMedDihydropteroate synthase (DHPS) is a key enzyme in bacterial folate synthesis and the target of the sulfonamide class of antibacterials. Resistance and toxicities associated with sulfonamides have led to a decrease in their clinical use. Compounds that bind to the pterin binding site of DHPS, as opposed to the p-amino benzoic acid (pABA) binding site targeted by the sulfonamide agents, are anticipated to bypass sulfonamide resistance. To identify such inhibitors and map the pterin binding pocket, we have performed virtual screening, synthetic, and structural studies using Bacillus anthracis DHPS. Several compounds with inhibitory activity have been identified, and crystal structures have been determined that show how the compounds engage the pterin site. The structural studies identify the key binding elements and have been used to generate a structure-activity based pharmacophore map that will facilitate the development of the next generation of DHPS inhibitors which specifically target the pterin site. Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase.,Hevener KE, Yun MK, Qi J, Kerr ID, Babaoglu K, Hurdle JG, Balakrishna K, White SW, Lee RE J Med Chem. 2009 Nov 9. PMID:19899766[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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