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4a99

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{{STRUCTURE_4a99| PDB=4a99 | SCENE= }}
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==STRUCTURE OF THE TETRACYCLINE DEGRADING MONOOXYGENASE TETX IN COMPLEX WITH MINOCYCLINE==
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===STRUCTURE OF THE TETRACYCLINE DEGRADING MONOOXYGENASE TETX IN COMPLEX WITH MINOCYCLINE===
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<StructureSection load='4a99' size='340' side='right' caption='[[4a99]], [[Resolution|resolution]] 2.18&Aring;' scene=''>
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{{ABSTRACT_PUBMED_23999299}}
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4a99]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron Bacteroides thetaiotaomicron]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A99 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4A99 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=MIY:(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE'>MIY</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2xyo|2xyo]], [[2xdo|2xdo]], [[2y6q|2y6q]], [[2y6r|2y6r]]</td></tr>
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<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=4a99 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4a99 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4a99 RCSB], [http://www.ebi.ac.uk/pdbsum/4a99 PDBsum]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Expression of the aromatic hydroxylase TetX under aerobic conditions confers bacterial resistance against tetracycline antibiotics. Hydroxylation inactivates and degrades tetracyclines, preventing inhibition of the prokaryotic ribosome. X-ray crystal structure analyses of TetX in complex with the second-generation and third-generation tetracyclines minocycline and tigecycline at 2.18 and 2.30 A resolution, respectively, explain why both clinically potent antibiotics are suitable substrates. Both tetracyclines bind in a large tunnel-shaped active site in close contact to the cofactor FAD, pre-oriented for regioselective hydroxylation to 11a-hydroxytetracyclines. The characteristic bulky 9-tert-butylglycylamido substituent of tigecycline is solvent-exposed and does not interfere with TetX binding. In the TetX-minocycline complex a second binding site for a minocycline dimer is observed close to the active-site entrance. The pocket is formed by the crystal packing arrangement on the surface of two neighbouring TetX monomers. Crystal structure analysis at 2.73 A resolution of xenon-pressurized TetX identified two adjacent Xe-binding sites. These putative dioxygen-binding cavities are located in the substrate-binding domain next to the active site. Molecular-dynamics simulations were performed in order to characterize dioxygen-diffusion pathways to FADH2 at the active site.
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==About this Structure==
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Putative dioxygen-binding sites and recognition of tigecycline and minocycline in the tetracycline-degrading monooxygenase TetX.,Volkers G, Damas JM, Palm GJ, Panjikar S, Soares CM, Hinrichs W Acta Crystallogr D Biol Crystallogr. 2013 Sep 1;69(Pt 9):1758-67. doi:, 10.1107/S0907444913013802. Epub 2013 Aug 15. PMID:23999299<ref>PMID:23999299</ref>
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[[4a99]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron Bacteroides thetaiotaomicron]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A99 OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<ref group="xtra">PMID:023999299</ref><references group="xtra"/><references/>
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</div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Bacteroides thetaiotaomicron]]
[[Category: Bacteroides thetaiotaomicron]]
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[[Category: Hinrichs, W.]]
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[[Category: Hinrichs, W]]
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[[Category: Palm, G J.]]
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[[Category: Palm, G J]]
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[[Category: Volkers, G.]]
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[[Category: Volkers, G]]
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[[Category: Weiss, M S.]]
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[[Category: Weiss, M S]]
[[Category: Flavin]]
[[Category: Flavin]]
[[Category: Flavoprotein]]
[[Category: Flavoprotein]]
[[Category: Monooxygenase]]
[[Category: Monooxygenase]]
[[Category: Tetracycline degradation]]
[[Category: Tetracycline degradation]]

Revision as of 04:57, 27 January 2015

STRUCTURE OF THE TETRACYCLINE DEGRADING MONOOXYGENASE TETX IN COMPLEX WITH MINOCYCLINE

4a99, resolution 2.18Å

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