7qz5 - Revision history

OCA at 13:24, 1 February 2024

OCA — Thu, 01 Feb 2024 13:24:24 GMT

←Older revision		Revision as of 13:24, 1 February 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7qz5]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Lactococcus_cremoris Lactococcus cremoris]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QZ5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QZ5 FirstGlance]. <br>		<table><tr><td colspan='2'>[[7qz5]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Lactococcus_cremoris Lactococcus cremoris]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QZ5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QZ5 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FTR:FLUOROTRYPTOPHANE'>FTR</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]] 1.8Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FTR:FLUOROTRYPTOPHANE'>FTR</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=7qz5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qz5 OCA], [https://pdbe.org/7qz5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qz5 RCSB], [https://www.ebi.ac.uk/pdbsum/7qz5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qz5 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=7qz5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qz5 OCA], [https://pdbe.org/7qz5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qz5 RCSB], [https://www.ebi.ac.uk/pdbsum/7qz5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qz5 ProSAT]</span></td></tr>
	</table>		</table>

OCA at 10:02, 24 November 2022

OCA — Thu, 24 Nov 2022 10:02:26 GMT

←Older revision		Revision as of 10:02, 24 November 2022
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-	'''Unreleased structure'''

-	~~The entry~~ 7qz5 is ~~ON HOLD until Paper~~ Publication	+	==Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5-fluoroTrp==
		+	<StructureSection load='7qz5' size='340' side='right'caption='[[7qz5]], [[Resolution\|resolution]] 1.80Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[7qz5]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Lactococcus_cremoris Lactococcus cremoris]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QZ5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QZ5 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FTR:FLUOROTRYPTOPHANE'>FTR</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=7qz5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qz5 OCA], [https://pdbe.org/7qz5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qz5 RCSB], [https://www.ebi.ac.uk/pdbsum/7qz5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qz5 ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A2RI36_LACLM A2RI36_LACLM]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	In proteins, the amino acids Phe, Tyr, and especially Trp are frequently involved in pi interactions such as pi-pi, cation-pi, and CH-pi bonds. These interactions are often crucial for protein structure and protein-ligand binding. A powerful means to study these interactions is progressive fluorination of these aromatic residues to modulate the electrostatic component of the interaction. However, to date no protein expression platform is available to produce milligram amounts of proteins labeled with such fluorinated amino acids. Here, we present a Lactococcus lactis Trp auxotroph-based expression system for efficient incorporation (>/=95%) of mono-, di-, tri-, and tetrafluorinated, as well as a methylated Trp analog. As a model protein we have chosen LmrR, a dimeric multidrug transcriptional repressor protein from L. lactis. LmrR binds aromatic drugs, like daunomycin and riboflavin, between Trp96 and Trp96' in the dimer interface. Progressive fluorination of Trp96 decreased the affinity for the drugs 6- to 70-fold, clearly establishing the importance of electrostatic pi-pi interactions for drug binding. Presteady state kinetic data of the LmrR-drug interaction support the enthalpic nature of the interaction, while high resolution crystal structures of the labeled protein-drug complexes provide for the first time a structural view of the progressive fluorination approach. The L. lactis expression system was also used to study the role of Trp68 in the binding of riboflavin by the membrane-bound riboflavin transport protein RibU from L. lactis. Progressive fluorination of Trp68 revealed a strong electrostatic component that contributed 15-20% to the total riboflavin-RibU binding energy.

-	~~Authors~~: Thunnissen, A.M.W.H.	+	The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.,Shao J, Kuiper BP, Thunnissen AWH, Cool RH, Zhou L, Huang C, Dijkstra BW, Broos J J Am Chem Soc. 2022 Aug 3;144(30):13815-13822. doi: 10.1021/jacs.2c04986. Epub , 2022 Jul 22. PMID:35868012<ref>PMID:35868012</ref>

-	~~Description: Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by~~ the ~~unnatural amino acid 5~~-~~fluoroTrp~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: Thunnissen~~, A.M.W.H~~]]	+	<div class="pdbe-citations 7qz5" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Lactococcus cremoris]]
		+	[[Category: Large Structures]]
		+	[[Category: Thunnissen AMWH]]

OCA at 04:57, 16 March 2022

OCA — Wed, 16 Mar 2022 04:57:28 GMT

←Older revision		Revision as of 04:57, 16 March 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7qz5 is ON HOLD	+	The entry 7qz5 is ON HOLD until Paper Publication

	Authors: Thunnissen, A.M.W.H.		Authors: Thunnissen, A.M.W.H.

OCA: Protected "7qz5" [edit=sysop:move=sysop]

OCA — Wed, 09 Feb 2022 06:08:30 GMT

Protected "7qz5" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:08, 9 February 2022

OCA: New page: '''Unreleased structure''' The entry 7qz5 is ON HOLD Authors: Thunnissen, A.M.W.H. Description: Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino ac...

OCA — Wed, 09 Feb 2022 06:08:29 GMT

New page: '''Unreleased structure''' The entry 7qz5 is ON HOLD Authors: Thunnissen, A.M.W.H. Description: Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino ac...

New page

'''Unreleased structure'''

The entry 7qz5 is ON HOLD

Authors: Thunnissen, A.M.W.H.

Description: Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5-fluoroTrp
[[Category: Unreleased Structures]]
[[Category: Thunnissen, A.M.W.H]]