2xkk
From Proteopedia
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| - | {{Seed}} | ||
| - | [[Image:2xkk.png|left|200px]] | ||
| - | < | + | ==CRYSTAL STRUCTURE OF MOXIFLOXACIN, DNA, and A. BAUMANNII TOPO IV (PARE-PARC FUSION TRUNCATE)== |
| - | + | <StructureSection load='2xkk' size='340' side='right'caption='[[2xkk]], [[Resolution|resolution]] 3.25Å' scene=''> | |
| - | + | == Structural highlights == | |
| - | + | <table><tr><td colspan='2'>[[2xkk]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Acinetobacter_baumannii Acinetobacter baumannii] and [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XKK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XKK 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]] 3.25Å</td></tr> | |
| - | - | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MFX:1-CYCLOPROPYL-6-FLUORO-8-METHOXY-7-[(4AS,7AS)-OCTAHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC+ACID'>MFX</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</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=2xkk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xkk OCA], [https://pdbe.org/2xkk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xkk RCSB], [https://www.ebi.ac.uk/pdbsum/2xkk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xkk ProSAT]</span></td></tr> | |
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/B0VP98_ACIBS B0VP98_ACIBS] Topoisomerase IV is essential for chromosome segregation. It relaxes supercoiled DNA. Performs the decatenation events required during the replication of a circular DNA molecule.[HAMAP-Rule:MF_00936] | ||
| + | == Evolutionary Conservation == | ||
| + | [[Image:Consurf_key_small.gif|200px|right]] | ||
| + | Check<jmol> | ||
| + | <jmolCheckbox> | ||
| + | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/xk/2xkk_consurf.spt"</scriptWhenChecked> | ||
| + | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked> | ||
| + | <text>to colour the structure by Evolutionary Conservation</text> | ||
| + | </jmolCheckbox> | ||
| + | </jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2xkk ConSurf]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Quinolone antibacterials have been used to treat bacterial infections for over 40 years. A crystal structure of moxifloxacin in complex with Acinetobacter baumannii topoisomerase IV now shows the wedge-shaped quinolone stacking between base pairs at the DNA cleavage site and binding conserved residues in the DNA cleavage domain through chelation of a noncatalytic magnesium ion. This provides a molecular basis for the quinolone inhibition mechanism, resistance mutations and invariant quinolone antibacterial structural features. | ||
| - | + | Structural basis of quinolone inhibition of type IIA topoisomerases and target-mediated resistance.,Wohlkonig A, Chan PF, Fosberry AP, Homes P, Huang J, Kranz M, Leydon VR, Miles TJ, Pearson ND, Perera RL, Shillings AJ, Gwynn MN, Bax BD Nat Struct Mol Biol. 2010 Sep;17(9):1152-3. Epub 2010 Aug 29. PMID:20802486<ref>PMID:20802486</ref> | |
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 2xkk" style="background-color:#fffaf0;"></div> | ||
| - | + | ==See Also== | |
| - | + | *[[Topoisomerase 3D structures|Topoisomerase 3D structures]] | |
| - | + | == References == | |
| - | + | <references/> | |
| - | + | __TOC__ | |
| - | + | </StructureSection> | |
| - | == | + | |
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| - | == | + | |
| - | < | + | |
[[Category: Acinetobacter baumannii]] | [[Category: Acinetobacter baumannii]] | ||
| - | [[Category: Bax | + | [[Category: Large Structures]] |
| - | [[Category: Chan | + | [[Category: Synthetic construct]] |
| - | [[Category: Fosberry | + | [[Category: Bax BD]] |
| - | [[Category: Gwynn | + | [[Category: Chan PF]] |
| - | [[Category: Homes | + | [[Category: Fosberry AP]] |
| - | [[Category: Huang | + | [[Category: Gwynn MN]] |
| - | [[Category: Kranz | + | [[Category: Homes P]] |
| - | [[Category: Leydon | + | [[Category: Huang J]] |
| - | [[Category: Miles | + | [[Category: Kranz M]] |
| - | [[Category: Pearson | + | [[Category: Leydon VR]] |
| - | [[Category: Perera | + | [[Category: Miles TJ]] |
| - | [[Category: Shillings | + | [[Category: Pearson ND]] |
| - | [[Category: Wohlkonig | + | [[Category: Perera RL]] |
| - | + | [[Category: Shillings AJ]] | |
| - | + | [[Category: Wohlkonig A]] | |
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Current revision
CRYSTAL STRUCTURE OF MOXIFLOXACIN, DNA, and A. BAUMANNII TOPO IV (PARE-PARC FUSION TRUNCATE)
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Categories: Acinetobacter baumannii | Large Structures | Synthetic construct | Bax BD | Chan PF | Fosberry AP | Gwynn MN | Homes P | Huang J | Kranz M | Leydon VR | Miles TJ | Pearson ND | Perera RL | Shillings AJ | Wohlkonig A
