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3wru
From Proteopedia
(Difference between revisions)
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== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[3wru]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WRU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WRU FirstGlance]. <br> | <table><tr><td colspan='2'>[[3wru]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WRU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WRU FirstGlance]. <br> | ||
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SJP:(2R,3R)-4-AMINO-N-[(1R,2S,3R,4R,5S)-5-AMINO-4-[(2,6-DIAMINO-2,3,4,6-TETRADEOXY-ALPHA-D-ERYTHRO-HEXOPYRANOSYL)OXY]-3-{[3-O-(2,6-DIAMINO-2,3,4,6-TETRADEOXY-BETA-L-THREO-HEXOPYRANOSYL)-BETA-D-RIBOFURANOSYL]OXY}-2-HYDROXYCYCLOHEXYL]-3-FLUORO-2-HYDROXYBUTANAMIDE'>SJP</scene></td></tr> | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.3Å</td></tr> |
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SJP:(2R,3R)-4-AMINO-N-[(1R,2S,3R,4R,5S)-5-AMINO-4-[(2,6-DIAMINO-2,3,4,6-TETRADEOXY-ALPHA-D-ERYTHRO-HEXOPYRANOSYL)OXY]-3-{[3-O-(2,6-DIAMINO-2,3,4,6-TETRADEOXY-BETA-L-THREO-HEXOPYRANOSYL)-BETA-D-RIBOFURANOSYL]OXY}-2-HYDROXYCYCLOHEXYL]-3-FLUORO-2-HYDROXYBUTANAMIDE'>SJP</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=3wru FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wru OCA], [https://pdbe.org/3wru PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wru RCSB], [https://www.ebi.ac.uk/pdbsum/3wru PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wru 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=3wru FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wru OCA], [https://pdbe.org/3wru PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wru RCSB], [https://www.ebi.ac.uk/pdbsum/3wru PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wru ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| - | <div style="background-color:#fffaf0;"> | ||
| - | == Publication Abstract from PubMed == | ||
| - | Aminoglycoside antibiotics are pseudosaccharides decorated with ammonium groups that are critical for their potent broad-spectrum antibacterial activity. Despite over three decades of speculation whether or not modulation of pKa is a viable strategy to curtail aminoglycoside kidney toxicity, there is a lack of methods to systematically probe amine-RNA interactions and resultant cytotoxicity trends. This study reports the first series of potent aminoglycoside antibiotics harboring fluorinated N1-hydroxyaminobutyryl acyl (HABA) appendages for which fluorine-RNA contacts are revealed through an X-ray cocrystal structure within the RNA A-site. Cytotoxicity in kidney-derived cells was significantly reduced for the derivative featuring our novel beta,beta-difluoro-HABA group, which masks one net charge by lowering the pKa without compromising antibacterial potency. This novel side-chain assists in evasion of aminoglycoside-modifying enzymes, and it can be easily transferred to impart these properties onto any number of novel analogs. | ||
| - | |||
| - | Toxicity modulation, resistance enzyme evasion, and A-site X-ray structure of broad-spectrum antibacterial neomycin analogs.,Maianti JP, Kanazawa H, Dozzo P, Matias RD, Feeney LA, Armstrong ES, Hildebrandt DJ, Kane TR, Gliedt MJ, Goldblum AA, Linsell MS, Aggen JB, Kondo J, Hanessian S ACS Chem Biol. 2014 Sep 19;9(9):2067-73. doi: 10.1021/cb5003416. Epub 2014 Jul, 14. PMID:25019242<ref>PMID:25019242</ref> | ||
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| - | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| - | </div> | ||
| - | <div class="pdbe-citations 3wru" style="background-color:#fffaf0;"></div> | ||
| - | == References == | ||
| - | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| - | [[Category: Armstrong | + | [[Category: Armstrong ES]] |
| - | [[Category: Dozzo | + | [[Category: Dozzo P]] |
| - | [[Category: Feeney | + | [[Category: Feeney LA]] |
| - | [[Category: Hanessian | + | [[Category: Hanessian S]] |
| - | [[Category: Kanazawa | + | [[Category: Kanazawa H]] |
| - | [[Category: Kondo | + | [[Category: Kondo J]] |
| - | [[Category: Maianti | + | [[Category: Maianti JP]] |
| - | + | ||
| - | + | ||
| - | + | ||
Current revision
Crystal structure of the bacterial ribosomal decoding site in complex with synthetic aminoglycoside with F-HABA group
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Categories: Large Structures | Armstrong ES | Dozzo P | Feeney LA | Hanessian S | Kanazawa H | Kondo J | Maianti JP
