7ttv - Revision history

OCA at 09:48, 25 October 2023

2023-10-25T09:48:14Z

←Older revision		Revision as of 09:48, 25 October 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7ttv]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7TTV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TTV FirstGlance]. <br>		<table><tr><td colspan='2'>[[7ttv]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7TTV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TTV FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CU:COPPER+(II)+ION'>CU</scene>, <scene name='pdbligand=QVP:4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic+acid'>QVP</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]] 1.99Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CU:COPPER+(II)+ION'>CU</scene>, <scene name='pdbligand=QVP:4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic+acid'>QVP</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=7ttv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ttv OCA], [https://pdbe.org/7ttv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ttv RCSB], [https://www.ebi.ac.uk/pdbsum/7ttv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ttv 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=7ttv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ttv OCA], [https://pdbe.org/7ttv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ttv RCSB], [https://www.ebi.ac.uk/pdbsum/7ttv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ttv ProSAT]</span></td></tr>
	</table>		</table>

OCA at 20:26, 12 April 2023

2023-04-12T20:26:17Z

←Older revision		Revision as of 20:26, 12 April 2023
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-	'''Unreleased structure'''

-	~~The entry~~ 7ttv is ~~ON HOLD until Paper~~ Publication	+	==E.coli DsbA in complex with 4-phenyl-2-(3-phenylpropyl)thiazole-5-carboxylic acid==
		+	<StructureSection load='7ttv' size='340' side='right'caption='[[7ttv]], [[Resolution\|resolution]] 1.99Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[7ttv]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7TTV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7TTV FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CU:COPPER+(II)+ION'>CU</scene>, <scene name='pdbligand=QVP:4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic+acid'>QVP</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=7ttv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ttv OCA], [https://pdbe.org/7ttv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ttv RCSB], [https://www.ebi.ac.uk/pdbsum/7ttv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ttv ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/DSBA_ECOLI DSBA_ECOLI] Required for disulfide bond formation in some periplasmic proteins such as PhoA or OmpA. Acts by transferring its disulfide bond to other proteins and is reduced in the process. DsbA is reoxidized by DsbB. Required for pilus biogenesis. PhoP-regulated transcription is redox-sensitive, being activated when the periplasm becomes more reducing (deletion of dsbA/dsbB, treatment with dithiothreitol). MgrB acts between DsbA/DsbB and PhoP/PhoQ in this pathway.<ref>PMID:1429594</ref> <ref>PMID:22267510</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Structures of protein-ligand complexes provide critical information for drug design. Most protein-ligand complex structures are determined using X-ray crystallography, but where crystallography is not able to generate a structure for a complex, NMR is often the best alternative. However, the available tools to enable rapid and robust structure determination of protein-ligand complexes by NMR are currently limited. This leads to situations where projects are either discontinued or pursued without structural data, rendering the task more difficult. We previously reported the NMR Molecular Replacement (NMR(2)) approach that allows the structure of a protein-ligand complex to be determined without requiring the cumbersome task of protein resonance assignment. Herein, we describe the NMR(2) approach to determine the binding pose of a small molecule in a weak protein-ligand complex by collecting sparse protein methyl-to-ligand NOEs from a selectively labeled protein sample and an unlabeled ligand. In the selective labeling scheme all methyl containing residues of the protein are protonated in an otherwise deuterated background. This allows measurement of intermolecular NOEs with greater sensitivity using standard NOESY pulse sequences instead of isotope-filtered NMR experiments. This labelling approach is well suited to the NMR(2) approach and extends its utility to include larger protein-ligand complexes.

-	~~Authors: Wang~~, G., ~~Heras~~, B.	+	Methyl probes in proteins for determining ligand binding mode in weak protein-ligand complexes.,Mohanty B, Orts J, Wang G, Nebl S, Alwan WS, Doak BC, Williams ML, Heras B, Mobli M, Scanlon MJ Sci Rep. 2022 Jul 4;12(1):11231. doi: 10.1038/s41598-022-13561-y. PMID:35789157<ref>PMID:35789157</ref>

-	~~Description: E~~.~~coli DsbA in complex with 4~~-~~phenyl~~-~~2-(3-phenylpropyl)thiazole-5-carboxylic acid~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
-	[[Category: ~~Wang, G~~]]	+	<div class="pdbe-citations 7ttv" style="background-color:#fffaf0;"></div>
-	[[Category: Heras, B]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Escherichia coli K-12]]
		+	[[Category: Large Structures]]
		+	[[Category: Heras B]]
		+	[[Category: Wang G]]

OCA at 04:53, 9 March 2022

2022-03-09T04:53:28Z

←Older revision		Revision as of 04:53, 9 March 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Wang, G., Heras, B.		Authors: Wang, G., Heras, B.

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

2022-02-09T06:21:43Z

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

←Older revision

Revision as of 06:21, 9 February 2022

OCA: New page: '''Unreleased structure''' The entry 7ttv is ON HOLD Authors: Wang, G., Heras, B. Description: E.coli DsbA in complex with 4-phenyl-2-(3-phenylpropyl)thiazole-5-carboxylic acid [[Categ...

2022-02-09T06:21:42Z

New page: '''Unreleased structure''' The entry 7ttv is ON HOLD Authors: Wang, G., Heras, B. Description: E.coli DsbA in complex with 4-phenyl-2-(3-phenylpropyl)thiazole-5-carboxylic acid [[Categ...

New page

'''Unreleased structure'''

The entry 7ttv is ON HOLD

Authors: Wang, G., Heras, B.

Description: E.coli DsbA in complex with 4-phenyl-2-(3-phenylpropyl)thiazole-5-carboxylic acid
[[Category: Unreleased Structures]]
[[Category: Wang, G]]
[[Category: Heras, B]]