4guv - Revision history

OCA at 15:56, 14 March 2024

OCA — Thu, 14 Mar 2024 15:56:59 GMT

←Older revision		Revision as of 15:56, 14 March 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4guv]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron Bacteroides thetaiotaomicron]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GUV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GUV FirstGlance]. <br>		<table><tr><td colspan='2'>[[4guv]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron Bacteroides thetaiotaomicron]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GUV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GUV FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XE:XENON'>XE</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]] 2.73Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XE:XENON'>XE</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=4guv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4guv OCA], [https://pdbe.org/4guv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4guv RCSB], [https://www.ebi.ac.uk/pdbsum/4guv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4guv 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=4guv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4guv OCA], [https://pdbe.org/4guv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4guv RCSB], [https://www.ebi.ac.uk/pdbsum/4guv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4guv ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/TETX_BACT4 TETX_BACT4] An FAD-requiring monooxygenase active on tetracycline antibiotic derivatives, which leads to their inactivation (PubMed:15452119, PubMed:16128584). Hydroxylates carbon 11a of oxytetracycline and tigecycline (PubMed:15452119, PubMed:26097034). Acts on many tetracycline analogs (chlorotetracycline, demeclocycline, doxycycline, minocycline, oxytetracyclinee), probably by monooxygenization (PubMed:15452119, PubMed:16128584). Tigecycline, a new generation tetracycline antibiotic, is rendered less effective against E.coli by this monooxygenation, is much weaker at inhibiting translation in vitro and binds Mg(2+) considerably less well (PubMed:16128584, PubMed:26097034). Expression in E.coli BW25113 reduces its growth rate about 5%. The reaction probably proceeds by FAD reduction by NADPH and, second, hydroxylation of antibiotic in a ping-pong mechanism (PubMed:23236139). Degrades chlortetracycline, probably by monooxygenation (PubMed:15452119, PubMed:28481346). Slowly oxidizes anhydrotetracycline, the final substrate in tetracycline biosynthesis (PubMed:26097034).[HAMAP-Rule:MF_00845]<ref>PMID:15452119</ref> <ref>PMID:16128584</ref> <ref>PMID:23236139</ref> <ref>PMID:26097034</ref> <ref>PMID:28481346</ref>		[https://www.uniprot.org/uniprot/TETX_BACT4 TETX_BACT4] An FAD-requiring monooxygenase active on tetracycline antibiotic derivatives, which leads to their inactivation (PubMed:15452119, PubMed:16128584). Hydroxylates carbon 11a of oxytetracycline and tigecycline (PubMed:15452119, PubMed:26097034). Acts on many tetracycline analogs (chlorotetracycline, demeclocycline, doxycycline, minocycline, oxytetracyclinee), probably by monooxygenization (PubMed:15452119, PubMed:16128584). Tigecycline, a new generation tetracycline antibiotic, is rendered less effective against E.coli by this monooxygenation, is much weaker at inhibiting translation in vitro and binds Mg(2+) considerably less well (PubMed:16128584, PubMed:26097034). Expression in E.coli BW25113 reduces its growth rate about 5%. The reaction probably proceeds by FAD reduction by NADPH and, second, hydroxylation of antibiotic in a ping-pong mechanism (PubMed:23236139). Degrades chlortetracycline, probably by monooxygenation (PubMed:15452119, PubMed:28481346). Slowly oxidizes anhydrotetracycline, the final substrate in tetracycline biosynthesis (PubMed:26097034).[HAMAP-Rule:MF_00845]<ref>PMID:15452119</ref> <ref>PMID:16128584</ref> <ref>PMID:23236139</ref> <ref>PMID:26097034</ref> <ref>PMID:28481346</ref>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	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.
-
-	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>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 4guv" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 07:18, 26 October 2022

OCA — Wed, 26 Oct 2022 07:18:42 GMT

←Older revision		Revision as of 07:18, 26 October 2022
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	==TetX derivatized with Xenon==		==TetX derivatized with Xenon==
-	<StructureSection load='4guv' size='340' side='right' caption='[[4guv]], [[Resolution\|resolution]] 2.73Å' scene=''>	+	<StructureSection load='4guv' size='340' side='right'caption='[[4guv]], [[Resolution\|resolution]] 2.73Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4guv]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"bacillus_thetaiotaomicron"_distaso_1912 "bacillus~~ thetaiotaomicron~~" distaso 1912~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GUV OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4GUV FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4guv]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacteroides_thetaiotaomicron Bacteroides thetaiotaomicron]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GUV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4GUV FirstGlance]. <br>
-	</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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XE:XENON'>XE</scene>~~</td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XE:XENON'>XE</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xdo\|2xdo]], [[2y6q\|2y6q]], [[2y6r\|2y6r]], [[2xyo\|2xyo]]</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=4guv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4guv OCA], [https://pdbe.org/4guv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4guv RCSB], [https://www.ebi.ac.uk/pdbsum/4guv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4guv ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">tetX2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=818 "Bacillus thetaiotaomicron" Distaso 1912])</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=4guv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4guv OCA], [~~http~~://pdbe.org/4guv PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4guv RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4guv PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4guv ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/TETX_BACT4 TETX_BACT4] An FAD-requiring monooxygenase active on tetracycline antibiotic derivatives, which leads to their inactivation (PubMed:15452119, PubMed:16128584). Hydroxylates carbon 11a of oxytetracycline and tigecycline (PubMed:15452119, PubMed:26097034). Acts on many tetracycline analogs (chlorotetracycline, demeclocycline, doxycycline, minocycline, oxytetracyclinee), probably by monooxygenization (PubMed:15452119, PubMed:16128584). Tigecycline, a new generation tetracycline antibiotic, is rendered less effective against E.coli by this monooxygenation, is much weaker at inhibiting translation in vitro and binds Mg(2+) considerably less well (PubMed:16128584, PubMed:26097034). Expression in E.coli BW25113 reduces its growth rate about 5%. The reaction probably proceeds by FAD reduction by NADPH and, second, hydroxylation of antibiotic in a ping-pong mechanism (PubMed:23236139). Degrades chlortetracycline, probably by monooxygenation (PubMed:15452119, PubMed:28481346). Slowly oxidizes anhydrotetracycline, the final substrate in tetracycline biosynthesis (PubMed:26097034).[HAMAP-Rule:MF_00845]<ref>PMID:15452119</ref> <ref>PMID:16128584</ref> <ref>PMID:23236139</ref> <ref>PMID:26097034</ref> <ref>PMID:28481346</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Bacillus~~ thetaiotaomicron ~~distaso 1912~~]]	+	[[Category: Bacteroides thetaiotaomicron]]
-	[[Category: Hinrichs, W]]	+	[[Category: Large Structures]]
-	[[Category: Palm~~, G J~~]]	+	[[Category: Hinrichs W]]
-	[[Category: Panjikar, S]]	+	[[Category: Palm GJ]]
-	[[Category: Volkers, G]]	+	[[Category: Panjikar S]]
-	~~[[Category: Monooxygenase]]~~	+	[[Category: Volkers G]]
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Rossmann fold]]~~	+
-	~~[[Category: Xenon~~]]	+

OCA at 07:45, 11 August 2016

OCA — Thu, 11 Aug 2016 07:45:37 GMT

←Older revision		Revision as of 07:45, 11 August 2016
Line 1:		Line 1:
		+
	==TetX derivatized with Xenon==		==TetX derivatized with Xenon==
	<StructureSection load='4guv' size='340' side='right' caption='[[4guv]], [[Resolution\|resolution]] 2.73Å' scene=''>		<StructureSection load='4guv' size='340' side='right' caption='[[4guv]], [[Resolution\|resolution]] 2.73Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xdo\|2xdo]], [[2y6q\|2y6q]], [[2y6r\|2y6r]], [[2xyo\|2xyo]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xdo\|2xdo]], [[2y6q\|2y6q]], [[2y6r\|2y6r]], [[2xyo\|2xyo]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">tetX2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=818 "Bacillus thetaiotaomicron" Distaso 1912])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">tetX2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=818 "Bacillus thetaiotaomicron" Distaso 1912])</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=4guv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4guv OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4guv RCSB], [http://www.ebi.ac.uk/pdbsum/4guv 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=4guv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4guv OCA], [http://pdbe.org/4guv PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4guv RCSB], [http://www.ebi.ac.uk/pdbsum/4guv PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4guv ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 16:		Line 17:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 4guv" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 09:15, 25 January 2015

OCA — Sun, 25 Jan 2015 09:15:06 GMT

←Older revision		Revision as of 09:15, 25 January 2015
Line 2:		Line 2:
	<StructureSection load='4guv' size='340' side='right' caption='[[4guv]], [[Resolution\|resolution]] 2.73Å' scene=''>		<StructureSection load='4guv' size='340' side='right' caption='[[4guv]], [[Resolution\|resolution]] 2.73Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4guv]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GUV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GUV FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4guv]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_thetaiotaomicron"_distaso_1912 "bacillus thetaiotaomicron" distaso 1912]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GUV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GUV FirstGlance]. <br>
	</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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XE:XENON'>XE</scene></td></tr>		</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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XE:XENON'>XE</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xdo\|2xdo]], [[2y6q\|2y6q]], [[2y6r\|2y6r]], [[2xyo\|2xyo]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xdo\|2xdo]], [[2y6q\|2y6q]], [[2y6r\|2y6r]], [[2xyo\|2xyo]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">tetX2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=818 "Bacillus thetaiotaomicron" Distaso 1912])</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=4guv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4guv OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4guv RCSB], [http://www.ebi.ac.uk/pdbsum/4guv 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=4guv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4guv OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4guv RCSB], [http://www.ebi.ac.uk/pdbsum/4guv PDBsum]</span></td></tr>
	</table>		</table>
Line 19:		Line 20:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Bacillus thetaiotaomicron distaso 1912]]
	[[Category: Hinrichs, W]]		[[Category: Hinrichs, W]]
	[[Category: Palm, G J]]		[[Category: Palm, G J]]

OCA at 07:34, 12 November 2014

OCA — Wed, 12 Nov 2014 07:34:56 GMT

←Older revision		Revision as of 07:34, 12 November 2014
Line 2:		Line 2:
	<StructureSection load='4guv' size='340' side='right' caption='[[4guv]], [[Resolution\|resolution]] 2.73Å' scene=''>		<StructureSection load='4guv' size='340' side='right' caption='[[4guv]], [[Resolution\|resolution]] 2.73Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4guv]] 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=4GUV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GUV FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4guv]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4GUV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GUV FirstGlance]. <br>
	</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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XE:XENON'>XE</scene></td></tr>		</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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XE:XENON'>XE</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xdo\|2xdo]], [[2y6q\|2y6q]], [[2y6r\|2y6r]], [[2xyo\|2xyo]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xdo\|2xdo]], [[2y6q\|2y6q]], [[2y6r\|2y6r]], [[2xyo\|2xyo]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">tetX2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=818 Bacteroides thetaiotaomicron])</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=4guv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4guv OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4guv RCSB], [http://www.ebi.ac.uk/pdbsum/4guv 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=4guv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4guv OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4guv RCSB], [http://www.ebi.ac.uk/pdbsum/4guv PDBsum]</span></td></tr>
	</table>		</table>
Line 20:		Line 19:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	~~[[Category: Bacteroides thetaiotaomicron]]~~	+	[[Category: Hinrichs, W]]
-	[[Category: Hinrichs, W.]]	+	[[Category: Palm, G J]]
-	[[Category: Palm, G J.]]	+	[[Category: Panjikar, S]]
-	[[Category: Panjikar, S.]]	+	[[Category: Volkers, G]]
-	[[Category: Volkers, G.]]	+
	[[Category: Monooxygenase]]		[[Category: Monooxygenase]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]
	[[Category: Rossmann fold]]		[[Category: Rossmann fold]]
	[[Category: Xenon]]		[[Category: Xenon]]

OCA at 14:00, 3 November 2014

OCA — Mon, 03 Nov 2014 14:00:49 GMT

←Older revision		Revision as of 14:00, 3 November 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_4guv\| PDB~~=4guv \| ~~SCENE~~= }}	+	==TetX derivatized with Xenon==
-	===~~TetX derivatized~~ with ~~Xenon~~===	+	<StructureSection load='4guv' size='340' side='right' caption='[[4guv]], [[Resolution\|resolution]] 2.73Å' scene=''>
-	~~{{ABSTRACT_PUBMED_23999299}}~~	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4guv]] 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=4GUV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4GUV FirstGlance]. <br>
		+	</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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XE:XENON'>XE</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2xdo\|2xdo]], [[2y6q\|2y6q]], [[2y6r\|2y6r]], [[2xyo\|2xyo]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">tetX2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=818 Bacteroides thetaiotaomicron])</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=4guv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4guv OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4guv RCSB], [http://www.ebi.ac.uk/pdbsum/4guv PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	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.

-	~~==About this Structure==~~	+	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>
-	~~[[4guv]] 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=4GUV OCA].~~	+

-	==~~Reference~~==	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~<ref group="xtra">PMID:023999299</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	</div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Bacteroides thetaiotaomicron]]		[[Category: Bacteroides thetaiotaomicron]]
	[[Category: Hinrichs, W.]]		[[Category: Hinrichs, W.]]
Line 15:		Line 27:
	[[Category: Monooxygenase]]		[[Category: Monooxygenase]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]
-	[[Category: ~~Rossman~~ fold]]	+	[[Category: Rossmann fold]]
	[[Category: Xenon]]		[[Category: Xenon]]

OCA at 02:47, 20 September 2013

OCA — Fri, 20 Sep 2013 02:47:53 GMT

←Older revision		Revision as of 02:47, 20 September 2013
Line 1:		Line 1:
	{{STRUCTURE_4guv\| PDB=4guv \| SCENE= }}		{{STRUCTURE_4guv\| PDB=4guv \| SCENE= }}
	===TetX derivatized with Xenon===		===TetX derivatized with Xenon===
		+	{{ABSTRACT_PUBMED_23999299}}

	==About this Structure==		==About this Structure==
	[[4guv]] 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=4GUV OCA].		[[4guv]] 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=4GUV OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:023999299</ref><references group="xtra"/><references/>
	[[Category: Bacteroides thetaiotaomicron]]		[[Category: Bacteroides thetaiotaomicron]]
	[[Category: Hinrichs, W.]]		[[Category: Hinrichs, W.]]

OCA at 22:44, 10 April 2013

OCA — Wed, 10 Apr 2013 22:44:12 GMT

←Older revision		Revision as of 22:44, 10 April 2013
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{STRUCTURE_4guv\| PDB=4guv \| SCENE= }}
		+	===TetX derivatized with Xenon===

-	~~The entry~~ 4guv is ~~ON HOLD until Paper Publication~~	+	==About this Structure==
-		+	[[4guv]] 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=4GUV OCA].
-	~~Authors~~: ~~Volkers~~, G., Palm, G.J., Panjikar, S., ~~Hinrichs, W~~.	+	[[Category: Bacteroides thetaiotaomicron]]
-		+	[[Category: Hinrichs, W.]]
-	~~Description~~: ~~TetX derivatized with~~ Xenon	+	[[Category: Palm, G J.]]
		+	[[Category: Panjikar, S.]]
		+	[[Category: Volkers, G.]]
		+	[[Category: Monooxygenase]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: Rossman fold]]
		+	[[Category: Xenon]]

OCA at 08:35, 31 October 2012

OCA — Wed, 31 Oct 2012 08:35:43 GMT

←Older revision		Revision as of 08:35, 31 October 2012
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4guv is ON HOLD	+	The entry 4guv is ON HOLD until Paper Publication

	Authors: Volkers, G., Palm, G.J., Panjikar, S., Hinrichs, W.		Authors: Volkers, G., Palm, G.J., Panjikar, S., Hinrichs, W.

	Description: TetX derivatized with Xenon		Description: TetX derivatized with Xenon

OCA: Protected "4guv" [edit=sysop:move=sysop]

OCA — Wed, 05 Sep 2012 05:00:12 GMT

Protected "4guv" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:00, 5 September 2012