7qu0 - Revision history

OCA at 13:22, 1 February 2024

OCA — Thu, 01 Feb 2024 13:22:50 GMT

←Older revision		Revision as of 13:22, 1 February 2024
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	<StructureSection load='7qu0' size='340' side='right'caption='[[7qu0]], [[Resolution\|resolution]] 1.62Å' scene=''>		<StructureSection load='7qu0' size='340' side='right'caption='[[7qu0]], [[Resolution\|resolution]] 1.62Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7qu0]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QU0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QU0 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7qu0]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Klebsiella_pneumoniae Klebsiella pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QU0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QU0 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=F2L:~{N}-[2,6-bis(fluoranyl)phenyl]ethanamide'>F2L</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</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]] 1.62Å</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/NADH:ubiquinone_reductase_(Na(+)-transporting) NADH:ubiquinone reductase (Na(+)-transporting)], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=7.2.1.1 7.2.1.1] </span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=F2L:~{N}-[2,6-bis(fluoranyl)phenyl]ethanamide'>F2L</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</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=7qu0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qu0 OCA], [https://pdbe.org/7qu0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qu0 RCSB], [https://www.ebi.ac.uk/pdbsum/7qu0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qu0 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=7qu0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qu0 OCA], [https://pdbe.org/7qu0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qu0 RCSB], [https://www.ebi.ac.uk/pdbsum/7qu0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qu0 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/NQRF_KLEP7 NQRF_KLEP7]] NQR complex catalyzes the reduction of ubiquinone-1 to ubiquinol by two successive reactions, coupled with the transport of Na(+) ions from the cytoplasm to the periplasm. The first step is catalyzed by NqrF, which accepts electrons from NADH and reduces ubiquinone-1 to ubisemiquinone by a one-electron transfer pathway.	+	[https://www.uniprot.org/uniprot/NQRF_KLEP7 NQRF_KLEP7] NQR complex catalyzes the reduction of ubiquinone-1 to ubiquinol by two successive reactions, coupled with the transport of Na(+) ions from the cytoplasm to the periplasm. The first step is catalyzed by NqrF, which accepts electrons from NADH and reduces ubiquinone-1 to ubisemiquinone by a one-electron transfer pathway.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 7qu0" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7qu0" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Quinone reductase 3D structures\|Quinone reductase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Klebsiella pneumoniae]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Fritz, G]]	+	[[Category: Fritz G]]
-	[[Category: Stegmann, D]]	+	[[Category: Stegmann D]]
-	[[Category: Steuber, J]]	+	[[Category: Steuber J]]
-	~~[[Category: Flavoprotein]]~~	+
-	~~[[Category: Nadh oxidizing~~]]	+

OCA at 07:21, 16 March 2022

OCA — Wed, 16 Mar 2022 07:21:47 GMT

←Older revision		Revision as of 07:21, 16 March 2022
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	==X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae==		==X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae==
-	<StructureSection load='7qu0' size='340' side='right'caption='[[7qu0]]' scene=''>	+	<StructureSection load='7qu0' size='340' side='right'caption='[[7qu0]], [[Resolution\|resolution]] 1.62Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QU0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QU0 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7qu0]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QU0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QU0 FirstGlance]. <br>
-	</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=7qu0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qu0 OCA], [https://pdbe.org/7qu0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qu0 RCSB], [https://www.ebi.ac.uk/pdbsum/7qu0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qu0 ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=F2L:~{N}-[2,6-bis(fluoranyl)phenyl]ethanamide'>F2L</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/NADH:ubiquinone_reductase_(Na(+)-transporting) NADH:ubiquinone reductase (Na(+)-transporting)], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=7.2.1.1 7.2.1.1] </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=7qu0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qu0 OCA], [https://pdbe.org/7qu0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qu0 RCSB], [https://www.ebi.ac.uk/pdbsum/7qu0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qu0 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/NQRF_KLEP7 NQRF_KLEP7]] NQR complex catalyzes the reduction of ubiquinone-1 to ubiquinol by two successive reactions, coupled with the transport of Na(+) ions from the cytoplasm to the periplasm. The first step is catalyzed by NqrF, which accepts electrons from NADH and reduces ubiquinone-1 to ubisemiquinone by a one-electron transfer pathway.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Over the last two decades, fragment-based drug discovery (FBDD) has emerged as an effective and efficient method to identify new chemical scaffolds for the development of lead compounds. X-ray crystallography can be used in FBDD as a tool to validate and develop fragments identified as binders by other methods. However, it is also often used with great success as a primary screening technique. In recent years, technological advances at macromolecular crystallography beamlines in terms of instrumentation, beam intensity and robotics have enabled the development of dedicated platforms at synchrotron sources for FBDD using X-ray crystallography. Here, the development of the Fast Fragment and Compound Screening (FFCS) platform, an integrated next-generation pipeline for crystal soaking, handling and data collection which allows crystallography-based screening of protein crystals against hundreds of fragments and compounds, at the Swiss Light Source is reported.
		+
		+	Fast fragment- and compound-screening pipeline at the Swiss Light Source.,Kaminski JW, Vera L, Stegmann DP, Vering J, Eris D, Smith KML, Huang CY, Meier N, Steuber J, Wang M, Fritz G, Wojdyla JA, Sharpe ME Acta Crystallogr D Struct Biol. 2022 Mar 1;78(Pt 3):328-336. doi:, 10.1107/S2059798322000705. Epub 2022 Feb 21. PMID:35234147<ref>PMID:35234147</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7qu0" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Fritz G]]	+	[[Category: Fritz, G]]
-	[[Category: Stegmann D]]	+	[[Category: Stegmann, D]]
-	[[Category: Steuber J]]	+	[[Category: Steuber, J]]
		+	[[Category: Flavoprotein]]
		+	[[Category: Nadh oxidizing]]

OCA at 07:25, 9 February 2022

OCA — Wed, 09 Feb 2022 07:25:32 GMT

←Older revision		Revision as of 07:25, 9 February 2022
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7qu0 ~~is ON HOLD~~	+	==X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae==
-		+	<StructureSection load='7qu0' size='340' side='right'caption='[[7qu0]]' scene=''>
-	~~Authors~~: ~~Stegmann~~, D., ~~Steuber~~, J., ~~Fritz~~, G.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QU0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QU0 FirstGlance]. <br>
-	~~Description: X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae~~	+	</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=7qu0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qu0 OCA], [https://pdbe.org/7qu0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qu0 RCSB], [https://www.ebi.ac.uk/pdbsum/7qu0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qu0 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Steuber, J~~]]	+	__TOC__
-	[[Category: Stegmann, D]]	+	</StructureSection>
-	[[Category: ~~Fritz, G~~]]	+	[[Category: Large Structures]]
		+	[[Category: Fritz G]]
		+	[[Category: Stegmann D]]
		+	[[Category: Steuber J]]

OCA: Protected "7qu0" [edit=sysop:move=sysop]

OCA — Thu, 27 Jan 2022 05:21:40 GMT

Protected "7qu0" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:21, 27 January 2022

OCA: New page: '''Unreleased structure''' The entry 7qu0 is ON HOLD Authors: Stegmann, D., Steuber, J., Fritz, G. Description: X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae [[Categor...

OCA — Thu, 27 Jan 2022 05:21:39 GMT

New page: '''Unreleased structure''' The entry 7qu0 is ON HOLD Authors: Stegmann, D., Steuber, J., Fritz, G. Description: X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae [[Categor...

New page

'''Unreleased structure'''

The entry 7qu0 is ON HOLD

Authors: Stegmann, D., Steuber, J., Fritz, G.

Description: X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae
[[Category: Unreleased Structures]]
[[Category: Steuber, J]]
[[Category: Stegmann, D]]
[[Category: Fritz, G]]