5wys - Revision history

OCA at 09:19, 20 March 2024

2024-03-20T09:19:27Z

←Older revision		Revision as of 09:19, 20 March 2024
Line 3:		Line 3:
	<StructureSection load='5wys' size='340' side='right'caption='[[5wys]], [[Resolution\|resolution]] 3.00Å' scene=''>		<StructureSection load='5wys' size='340' side='right'caption='[[5wys]], [[Resolution\|resolution]] 3.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5wys]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WYS OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5WYS FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5wys]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Photinus_pyralis Photinus pyralis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WYS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5WYS FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=7V6:5~~-[~~(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl~~]-2~~-oxidanyl-benzoic+acid'>7V6</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]] 2.999Å</td></tr>
-	<tr id='~~activity~~'><td class="sblockLbl"><b>~~Activity~~:</b></td><td class="sblockDat"><~~span class~~='~~plainlinks'>[http~~:~~//en.wikipedia.org/wiki/Photinus~~-~~luciferin_4~~-~~monooxygenase_~~(~~ATP~~-~~hydrolyzing~~) ~~Photinus~~-~~luciferin 4~~-~~monooxygenase (ATP~~-~~hydrolyzing)~~]~~, with EC number [http://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=1.13.12.7 1.13.12.7]~~ </~~span~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7V6:5-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic+acid'>7V6</scene></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=5wys FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wys OCA], [~~http~~://pdbe.org/5wys PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5wys RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5wys PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5wys 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=5wys FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wys OCA], [https://pdbe.org/5wys PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5wys RCSB], [https://www.ebi.ac.uk/pdbsum/5wys PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5wys ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/LUCI_PHOPY LUCI_PHOPY]] Produces green light with a wavelength of 562 nm.	+	[https://www.uniprot.org/uniprot/LUCI_PHOPY LUCI_PHOPY] Produces green light with a wavelength of 562 nm.
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	Chalcone refers to an aromatic ketone and an enone that constitutes the central core for various important biological compounds in drug discovery. Moreover, the firefly luciferase (Fluc) as the bioluminescent reporter has been widely used in life science research and high-throughput screening (HTS). However, Fluc might suffer from direct inhibition by HTS compounds resulting in the occurrence of "false positives." In the current research, we discovered a series of chalcone compounds as Fluc inhibitors with favorable potency both in vitro and in vivo. Moreover, our compound 3i showed remarkable systemic inhibition in transgenic mice. Both enzymatic kinetics study and cocrystal structure demonstrated that compound 3i is competitive for substrate aminoluciferin, while noncompetitive for ATP. Besides, compound 3i exhibited excellent selectivity as a promising quenching agent in a simulated dual-luciferase reporter assay. We believed that our research would contribute to improving scientists' awareness of the Fluc inhibitors, pay attention to the bias results, and even expand the utilization of bioluminescence in life science research.	+
-		+
-	Inhibiting Firefly Bioluminescence by Chalcones.,Zhang H, Su J, Lin Y, Bai H, Liu J, Chen H, Du L, Gu L, Li M Anal Chem. 2017 Jun 6;89(11):6099-6105. doi: 10.1021/acs.analchem.7b00813. Epub, 2017 May 23. PMID:28492074<ref>PMID:28492074</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 5wys" style="background-color:#fffaf0;"></div>~~	+

	==See Also==		==See Also==
	*[[Luciferase 3D structures\|Luciferase 3D structures]]		*[[Luciferase 3D structures\|Luciferase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Gu, L~~]]	+	[[Category: Photinus pyralis]]
-	[[Category: ~~Su, J~~]]	+	[[Category: Gu L]]
-	[[Category: ~~Wang, F~~]]	+	[[Category: Su J]]
-	[[Category: ~~Inhibitor]]~~	+	[[Category: Wang F]]
-	~~[[Category: Luciferase]]~~	+
-	~~[[Category: Oxidoreductase-oxidoreductase inhibitor complex~~]]	+

OCA at 07:20, 7 October 2020

2020-10-07T07:20:21Z

←Older revision		Revision as of 07:20, 7 October 2020
Line 1:		Line 1:

	==luciferase with inhibitor 3i==		==luciferase with inhibitor 3i==
-	<StructureSection load='5wys' size='340' side='right' caption='[[5wys]], [[Resolution\|resolution]] 3.00Å' scene=''>	+	<StructureSection load='5wys' size='340' side='right'caption='[[5wys]], [[Resolution\|resolution]] 3.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5wys]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WYS OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5WYS FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5wys]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WYS OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5WYS FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7V6:5-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic+acid'>7V6</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7V6:5-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic+acid'>7V6</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Photinus-luciferin_4-monooxygenase_(ATP-hydrolyzing) Photinus-luciferin 4-monooxygenase (ATP-hydrolyzing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.13.12.7 1.13.12.7] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Photinus-luciferin_4-monooxygenase_(ATP-hydrolyzing) Photinus-luciferin 4-monooxygenase (ATP-hydrolyzing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.13.12.7 1.13.12.7] </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=5wys FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wys OCA], [http://pdbe.org/5wys PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5wys RCSB], [http://www.ebi.ac.uk/pdbsum/5wys PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5wys ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5wys FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wys OCA], [http://pdbe.org/5wys PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5wys RCSB], [http://www.ebi.ac.uk/pdbsum/5wys PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5wys ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 5wys" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5wys" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Luciferase 3D structures\|Luciferase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Gu, L]]		[[Category: Gu, L]]
	[[Category: Su, J]]		[[Category: Su, J]]

OCA at 08:30, 27 December 2017

2017-12-27T08:30:01Z

←Older revision		Revision as of 08:30, 27 December 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5wys is ~~ON HOLD until Paper~~ Publication	+	==luciferase with inhibitor 3i==
		+	<StructureSection load='5wys' size='340' side='right' caption='[[5wys]], [[Resolution\|resolution]] 3.00Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5wys]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WYS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5WYS FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7V6:5-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic+acid'>7V6</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Photinus-luciferin_4-monooxygenase_(ATP-hydrolyzing) Photinus-luciferin 4-monooxygenase (ATP-hydrolyzing)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.13.12.7 1.13.12.7] </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=5wys FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wys OCA], [http://pdbe.org/5wys PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5wys RCSB], [http://www.ebi.ac.uk/pdbsum/5wys PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5wys ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/LUCI_PHOPY LUCI_PHOPY]] Produces green light with a wavelength of 562 nm.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Chalcone refers to an aromatic ketone and an enone that constitutes the central core for various important biological compounds in drug discovery. Moreover, the firefly luciferase (Fluc) as the bioluminescent reporter has been widely used in life science research and high-throughput screening (HTS). However, Fluc might suffer from direct inhibition by HTS compounds resulting in the occurrence of "false positives." In the current research, we discovered a series of chalcone compounds as Fluc inhibitors with favorable potency both in vitro and in vivo. Moreover, our compound 3i showed remarkable systemic inhibition in transgenic mice. Both enzymatic kinetics study and cocrystal structure demonstrated that compound 3i is competitive for substrate aminoluciferin, while noncompetitive for ATP. Besides, compound 3i exhibited excellent selectivity as a promising quenching agent in a simulated dual-luciferase reporter assay. We believed that our research would contribute to improving scientists' awareness of the Fluc inhibitors, pay attention to the bias results, and even expand the utilization of bioluminescence in life science research.

-	~~Authors: Gu, L~~., Su, J., ~~Wang~~, F.	+	Inhibiting Firefly Bioluminescence by Chalcones.,Zhang H, Su J, Lin Y, Bai H, Liu J, Chen H, Du L, Gu L, Li M Anal Chem. 2017 Jun 6;89(11):6099-6105. doi: 10.1021/acs.analchem.7b00813. Epub, 2017 May 23. PMID:28492074<ref>PMID:28492074</ref>

-	~~Description: luciferase with inhibitor 3i~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
		+	<div class="pdbe-citations 5wys" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Gu, L]]		[[Category: Gu, L]]
-	[[Category: Wang, F]]
	[[Category: Su, J]]		[[Category: Su, J]]
		+	[[Category: Wang, F]]
		+	[[Category: Inhibitor]]
		+	[[Category: Luciferase]]
		+	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]

OCA at 15:11, 27 September 2017

2017-09-27T15:11:56Z

←Older revision		Revision as of 15:11, 27 September 2017
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5wys is ON HOLD	+	The entry 5wys is ON HOLD until Paper Publication

	Authors: Gu, L., Su, J., Wang, F.		Authors: Gu, L., Su, J., Wang, F.
Line 7:		Line 7:
	Description: luciferase with inhibitor 3i		Description: luciferase with inhibitor 3i
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
		+	[[Category: Gu, L]]
	[[Category: Wang, F]]		[[Category: Wang, F]]
	[[Category: Su, J]]		[[Category: Su, J]]
-	[[Category: Gu, L]]

OCA at 20:00, 15 March 2017

2017-03-15T20:00:02Z

←Older revision		Revision as of 20:00, 15 March 2017
Line 7:		Line 7:
	Description: luciferase with inhibitor 3i		Description: luciferase with inhibitor 3i
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Gu, L]]
	[[Category: Wang, F]]		[[Category: Wang, F]]
	[[Category: Su, J]]		[[Category: Su, J]]
		+	[[Category: Gu, L]]

OCA: Protected "5wys" [edit=sysop:move=sysop]

2017-01-25T22:36:28Z

Protected "5wys" [edit=sysop:move=sysop]

←Older revision

Revision as of 22:36, 25 January 2017

OCA: New page: '''Unreleased structure''' The entry 5wys is ON HOLD Authors: Gu, L., Su, J., Wang, F. Description: luciferase with inhibitor 3i Category: Unreleased Structures Category: Gu, L...

2017-01-25T22:36:26Z

New page: '''Unreleased structure''' The entry 5wys is ON HOLD Authors: Gu, L., Su, J., Wang, F. Description: luciferase with inhibitor 3i Category: Unreleased Structures Category: Gu, L...

New page

'''Unreleased structure'''

The entry 5wys is ON HOLD

Authors: Gu, L., Su, J., Wang, F.

Description: luciferase with inhibitor 3i
[[Category: Unreleased Structures]]
[[Category: Gu, L]]
[[Category: Wang, F]]
[[Category: Su, J]]