6n87 - Revision history

OCA at 06:47, 11 October 2023

OCA — Wed, 11 Oct 2023 06:47:38 GMT

←Older revision		Revision as of 06:47, 11 October 2023
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	<StructureSection load='6n87' size='340' side='right'caption='[[6n87]], [[Resolution\|resolution]] 1.59Å' scene=''>		<StructureSection load='6n87' size='340' side='right'caption='[[6n87]], [[Resolution\|resolution]] 1.59Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6n87]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Plafa Plafa~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6N87 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6N87 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6n87]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6N87 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6N87 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=MTN:S~~-[(1~~-OXYL-2,2,5,5-TETRAMETHYL-2,5-DIHYDRO-1H-PYRROL-3-YL)METHYL]+METHANESULFONOTHIOATE'>MTN</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]] 1.588Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"~~>[[6n7q\|6n7q]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MTN:S-[(1-OXYL-2,2,5,5-TETRAMETHYL-2,5-DIHYDRO-1H-PYRROL-3-YL)METHYL]+METHANESULFONOTHIOATE'>MTN</scene></td></tr>
-	~~<tr~~ id~~='gene'><td class~~="~~sblockLbl~~"><~~b>[[Gene\|Gene~~:]~~]</b~~></td>~~<td class="sblockDat">ama-1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5833 PLAFA])~~</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=6n87 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6n87 OCA], [https://pdbe.org/6n87 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6n87 RCSB], [https://www.ebi.ac.uk/pdbsum/6n87 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6n87 ProSAT]</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=6n87 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6n87 OCA], [~~http~~://pdbe.org/6n87 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6n87 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6n87 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6n87 ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q1PBJ5_PLAFA Q1PBJ5_PLAFA]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Plafa~~]]	+	[[Category: Plasmodium falciparum]]
-	[[Category: Drinkwater, N]]	+	[[Category: Drinkwater N]]
-	[[Category: McGowan, S]]	+	[[Category: McGowan S]]
-	~~[[Category: Ama1]]~~	+
-	~~[[Category: Apical membrane antigen 1]]~~	+
-	~~[[Category: Malaria]]~~	+
-	~~[[Category: Paramagnetic probe]]~~	+
-	~~[[Category: Peptide binding protein]]~~	+
-	~~[[Category: Ron2~~]]	+

OCA at 08:28, 20 March 2019

OCA — Wed, 20 Mar 2019 08:28:19 GMT

←Older revision		Revision as of 08:28, 20 March 2019
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	==Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to MTSL spin-labelled cyclised RON2 peptide==		==Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to MTSL spin-labelled cyclised RON2 peptide==
-	<StructureSection load='6n87' size='340' side='right' caption='[[6n87]], [[Resolution\|resolution]] 1.59Å' scene=''>	+	<StructureSection load='6n87' size='340' side='right'caption='[[6n87]], [[Resolution\|resolution]] 1.59Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6n87]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6N87 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6N87 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6n87]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Plafa Plafa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6N87 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6N87 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MTN:S-[(1-OXYL-2,2,5,5-TETRAMETHYL-2,5-DIHYDRO-1H-PYRROL-3-YL)METHYL]+METHANESULFONOTHIOATE'>MTN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MTN:S-[(1-OXYL-2,2,5,5-TETRAMETHYL-2,5-DIHYDRO-1H-PYRROL-3-YL)METHYL]+METHANESULFONOTHIOATE'>MTN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6n7q\|6n7q]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6n7q\|6n7q]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ama-1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5833 PLAFA])</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=6n87 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6n87 OCA], [http://pdbe.org/6n87 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6n87 RCSB], [http://www.ebi.ac.uk/pdbsum/6n87 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6n87 ProSAT]</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=6n87 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6n87 OCA], [http://pdbe.org/6n87 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6n87 RCSB], [http://www.ebi.ac.uk/pdbsum/6n87 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6n87 ProSAT]</span></td></tr>
	</table>		</table>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Plafa]]
	[[Category: Drinkwater, N]]		[[Category: Drinkwater, N]]
	[[Category: McGowan, S]]		[[Category: McGowan, S]]

OCA at 08:44, 30 January 2019

OCA — Wed, 30 Jan 2019 08:44:51 GMT

←Older revision		Revision as of 08:44, 30 January 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6n87 is ~~ON HOLD until Paper~~ Publication	+	==Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to MTSL spin-labelled cyclised RON2 peptide==
		+	<StructureSection load='6n87' size='340' side='right' caption='[[6n87]], [[Resolution\|resolution]] 1.59Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6n87]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6N87 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6N87 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MTN:S-[(1-OXYL-2,2,5,5-TETRAMETHYL-2,5-DIHYDRO-1H-PYRROL-3-YL)METHYL]+METHANESULFONOTHIOATE'>MTN</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6n7q\|6n7q]]</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=6n87 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6n87 OCA], [http://pdbe.org/6n87 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6n87 RCSB], [http://www.ebi.ac.uk/pdbsum/6n87 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6n87 ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Apical membrane antigen 1 (AMA1) is essential for the invasion of host cells by malaria parasites. Several small-molecule ligands have been shown to bind to a conserved hydrophobic cleft in Plasmodium falciparum AMA1. However, a lack of detailed structural information on the binding pose of these molecules has hindered their further optimisation as inhibitors. We have developed a spin-labelled peptide based on RON2, the native binding partner of AMA1, to probe the binding sites of compounds on PfAMA1. The crystal structure of this peptide bound to PfAMA1 shows that it binds at one end of the hydrophobic groove, leaving much of the binding site unoccupied and allowing fragment hits to bind without interference. In paramagnetic relaxation enhancement (PRE)-based NMR screening, the 1H relaxation rates of compounds binding close to the probe were enhanced. Compounds experienced different degrees of PRE as a result of their different orientations relative to the spin-label while bound to AMA1. Thus, PRE-derived distance constraints can be used to identify binding sites and guide further hit optimisation.

-	~~Authors: McGowan, S~~., ~~Drinkwater~~, N.	+	Identification of the binding site of apical membrane antigen 1 (AMA1) inhibitors using a paramagnetic probe.,Akter M, Drinkwater N, Devine SM, Drew SC, Bankala K, Debono CO, Wang G, Scanlon MJ, Scammells PJ, McGowan S, MacRaild CA, Norton RS ChemMedChem. 2019 Jan 17. doi: 10.1002/cmdc.201800802. PMID:30653832<ref>PMID:30653832</ref>

-	~~Description: Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to MTSL spin-labelled cyclised RON2 peptide~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
		+	<div class="pdbe-citations 6n87" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Drinkwater, N]]		[[Category: Drinkwater, N]]
-	[[Category: ~~Mcgowan~~, S]]	+	[[Category: McGowan, S]]
		+	[[Category: Ama1]]
		+	[[Category: Apical membrane antigen 1]]
		+	[[Category: Malaria]]
		+	[[Category: Paramagnetic probe]]
		+	[[Category: Peptide binding protein]]
		+	[[Category: Ron2]]

OCA at 05:21, 12 December 2018

OCA — Wed, 12 Dec 2018 05:21:01 GMT

←Older revision		Revision as of 05:21, 12 December 2018
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6n87 is ON HOLD	+	The entry 6n87 is ON HOLD until Paper Publication

	Authors: McGowan, S., Drinkwater, N.		Authors: McGowan, S., Drinkwater, N.

OCA: Protected "6n87" [edit=sysop:move=sysop]

OCA — Wed, 05 Dec 2018 05:21:03 GMT

Protected "6n87" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:21, 5 December 2018

OCA: New page: '''Unreleased structure''' The entry 6n87 is ON HOLD Authors: McGowan, S., Drinkwater, N. Description: Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to MTSL spin-lab...

OCA — Wed, 05 Dec 2018 05:21:01 GMT

New page: '''Unreleased structure''' The entry 6n87 is ON HOLD Authors: McGowan, S., Drinkwater, N. Description: Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to MTSL spin-lab...

New page

'''Unreleased structure'''

The entry 6n87 is ON HOLD

Authors: McGowan, S., Drinkwater, N.

Description: Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to MTSL spin-labelled cyclised RON2 peptide
[[Category: Unreleased Structures]]
[[Category: Drinkwater, N]]
[[Category: Mcgowan, S]]