6mrq - Revision history

OCA at 06:37, 11 October 2023

2023-10-11T06:37:34Z

←Older revision		Revision as of 06:37, 11 October 2023
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-	====	+	==Structure of ToPI1 inhibitor from Tityus obscurus scorpion venom in complex with trypsin==
-	<StructureSection load='6mrq' size='340' side='right'caption='[[6mrq]]' scene=''>	+	<StructureSection load='6mrq' size='340' side='right'caption='[[6mrq]], [[Resolution\|resolution]] 1.29Å' 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= OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol= FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6mrq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus] and [https://en.wikipedia.org/wiki/Tityus Tityus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6MRQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6MRQ 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=6mrq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6mrq OCA], [https://pdbe.org/6mrq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6mrq RCSB], [https://www.ebi.ac.uk/pdbsum/6mrq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6mrq ProSAT]</span></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]] 1.288Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=6mrq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6mrq OCA], [https://pdbe.org/6mrq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6mrq RCSB], [https://www.ebi.ac.uk/pdbsum/6mrq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6mrq ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/TRY1_BOVIN TRY1_BOVIN]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Peptidase inhibitors (PIs) have been broadly studied due to their wide therapeutic potential for human diseases. A potent trypsin inhibitor from Tityus obscurus scorpion venom was characterized and named ToPI1, with 33 amino acid residues and three disulfide bonds. The X-ray structure of the ToPI1:trypsin complex, in association with the mass spectrometry data, indicate a sequential set of events: the complex formation with the inhibitor Lys(32) in the trypsin S1 pocket, the inhibitor C-terminal residue Ser(33) cleavage, and the cyclization of ToPI1 via a peptide bond between residues Ile(1) and Lys(32). Kinetic and thermodynamic characterization of the complex was obtained. ToPI1 shares no sequence similarity with other PIs characterized to date and is the first PI with CS-alpha/beta motif described from animal venoms. In its cyclic form, it shares structural similarities with plant cyclotides that also inhibit trypsin. These results bring new insights for studies with venom compounds, PIs, and drug design.
		+
		+	Head-to-Tail Cyclization after Interaction with Trypsin: A Scorpion Venom Peptide that Resembles Plant Cyclotides.,Mourao CBF, Brand GD, Fernandes JPC, Prates MV, Bloch C Jr, Barbosa JARG, Freitas SM, Restano-Cassulini R, Possani LD, Schwartz EF J Med Chem. 2020 Aug 12. doi: 10.1021/acs.jmedchem.0c00686. PMID:32787139<ref>PMID:32787139</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6mrq" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Trypsin 3D structures\|Trypsin 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Bos taurus]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Z-disk~~]]	+	[[Category: Tityus]]
		+	[[Category: Barbosa JARG]]
		+	[[Category: Fernandes JC]]
		+	[[Category: Mourao CBF]]
		+	[[Category: Schwartz EF]]

OCA at 08:50, 18 February 2021

2021-02-18T08:50:35Z

←Older revision		Revision as of 08:50, 18 February 2021
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	<StructureSection load='6mrq' size='340' side='right'caption='[[6mrq]]' scene=''>		<StructureSection load='6mrq' size='340' side='right'caption='[[6mrq]]' 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= OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol= FirstGlance]. <br>	+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id= OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol= FirstGlance]. <br>
-	</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=6mrq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6mrq OCA], [~~http~~://pdbe.org/6mrq PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6mrq RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6mrq PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6mrq ProSAT]</span></td></tr>	+	</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=6mrq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6mrq OCA], [https://pdbe.org/6mrq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6mrq RCSB], [https://www.ebi.ac.uk/pdbsum/6mrq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6mrq ProSAT]</span></td></tr>
	</table>		</table>
	__TOC__		__TOC__

OCA at 11:22, 26 August 2020

2020-08-26T11:22:30Z

←Older revision		Revision as of 11:22, 26 August 2020
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-	~~WITHDRAWN~~: ~~The PDB entry 6MRQ was withdrawn~~.	+
		+	====
		+	<StructureSection load='6mrq' size='340' side='right'caption='[[6mrq]]' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id= OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol= FirstGlance]. <br>
		+	</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=6mrq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6mrq OCA], [http://pdbe.org/6mrq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6mrq RCSB], [http://www.ebi.ac.uk/pdbsum/6mrq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6mrq ProSAT]</span></td></tr>
		+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Z-disk]]

OCA at 05:37, 25 June 2020

2020-06-25T05:37:31Z

←Older revision		Revision as of 05:37, 25 June 2020
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-	~~'''Unreleased structure'''~~	+	WITHDRAWN: The PDB entry 6MRQ was withdrawn.
-		+
-	The entry ~~6mrq is ON HOLD~~	+
-		+
-	~~Authors: Fernandes, J.C., Mourao, C.B.F., Schwartz, E.F., Barbosa, J.A.R.G.~~	+
-		+
-	~~Description: Structure of TopI1 inhibitor from Tityus obscurus scorpion venom in complex with trypsin~~	+
-	~~[[Category: Unreleased Structures]]~~	+
-	~~[[Category: Mourao, C.B.F]]~~	+
-	~~[[Category: Barbosa, J.A.R.G]]~~	+
-	~~[[Category: Fernandes, J.C]]~~	+
-	~~[[Category: Schwartz, E~~.~~F]]~~	+

OCA at 17:41, 24 June 2020

2020-06-24T17:41:22Z

←Older revision		Revision as of 17:41, 24 June 2020
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6mrq is ON HOLD ~~until Apr 15 2021~~	+	The entry 6mrq is ON HOLD

	Authors: Fernandes, J.C., Mourao, C.B.F., Schwartz, E.F., Barbosa, J.A.R.G.		Authors: Fernandes, J.C., Mourao, C.B.F., Schwartz, E.F., Barbosa, J.A.R.G.
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	Description: Structure of TopI1 inhibitor from Tityus obscurus scorpion venom in complex with trypsin		Description: Structure of TopI1 inhibitor from Tityus obscurus scorpion venom in complex with trypsin
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Fernandes, J.C]]
-	[[Category: Schwartz, E.F]]
	[[Category: Mourao, C.B.F]]		[[Category: Mourao, C.B.F]]
	[[Category: Barbosa, J.A.R.G]]		[[Category: Barbosa, J.A.R.G]]
		+	[[Category: Fernandes, J.C]]
		+	[[Category: Schwartz, E.F]]

OCA at 04:20, 16 October 2019

2019-10-16T04:20:57Z

←Older revision		Revision as of 04:20, 16 October 2019
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6mrq is ON HOLD until ~~Oct~~ 15 ~~2020~~	+	The entry 6mrq is ON HOLD until Apr 15 2021

	Authors: Fernandes, J.C., Mourao, C.B.F., Schwartz, E.F., Barbosa, J.A.R.G.		Authors: Fernandes, J.C., Mourao, C.B.F., Schwartz, E.F., Barbosa, J.A.R.G.

OCA at 10:48, 7 November 2018

2018-11-07T10:48:50Z

←Older revision		Revision as of 10:48, 7 November 2018
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6mrq is ON HOLD	+	The entry 6mrq is ON HOLD until Oct 15 2020

	Authors: Fernandes, J.C., Mourao, C.B.F., Schwartz, E.F., Barbosa, J.A.R.G.		Authors: Fernandes, J.C., Mourao, C.B.F., Schwartz, E.F., Barbosa, J.A.R.G.

OCA: Protected "6mrq" [edit=sysop:move=sysop]

2018-10-24T04:31:59Z

Protected "6mrq" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:31, 24 October 2018

OCA: New page: '''Unreleased structure''' The entry 6mrq is ON HOLD Authors: Fernandes, J.C., Mourao, C.B.F., Schwartz, E.F., Barbosa, J.A.R.G. Description: Structure of TopI1 inhibitor from Tityus o...

2018-10-24T04:31:57Z

New page: '''Unreleased structure''' The entry 6mrq is ON HOLD Authors: Fernandes, J.C., Mourao, C.B.F., Schwartz, E.F., Barbosa, J.A.R.G. Description: Structure of TopI1 inhibitor from Tityus o...

New page

'''Unreleased structure'''

The entry 6mrq is ON HOLD

Authors: Fernandes, J.C., Mourao, C.B.F., Schwartz, E.F., Barbosa, J.A.R.G.

Description: Structure of TopI1 inhibitor from Tityus obscurus scorpion venom in complex with trypsin
[[Category: Unreleased Structures]]
[[Category: Fernandes, J.C]]
[[Category: Schwartz, E.F]]
[[Category: Mourao, C.B.F]]
[[Category: Barbosa, J.A.R.G]]