7rkg - Revision history

OCA at 09:28, 25 October 2023

OCA — Wed, 25 Oct 2023 09:28:31 GMT

←Older revision		Revision as of 09:28, 25 October 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7rkg]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Griffithsia_sp._Q66D336 Griffithsia sp. Q66D336]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7RKG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7RKG FirstGlance]. <br>		<table><tr><td colspan='2'>[[7rkg]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Griffithsia_sp._Q66D336 Griffithsia sp. Q66D336]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7RKG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7RKG FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</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]] 2.2Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</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=7rkg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7rkg OCA], [https://pdbe.org/7rkg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7rkg RCSB], [https://www.ebi.ac.uk/pdbsum/7rkg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7rkg 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=7rkg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7rkg OCA], [https://pdbe.org/7rkg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7rkg RCSB], [https://www.ebi.ac.uk/pdbsum/7rkg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7rkg ProSAT]</span></td></tr>
	</table>		</table>

OCA at 11:02, 30 November 2022

OCA — Wed, 30 Nov 2022 11:02:02 GMT

←Older revision		Revision as of 11:02, 30 November 2022
Line 1:		Line 1:

	==Griffithsin mutant Y28W==		==Griffithsin mutant Y28W==
-	<StructureSection load='7rkg' size='340' side='right'caption='[[7rkg]]' scene=''>	+	<StructureSection load='7rkg' size='340' side='right'caption='[[7rkg]], [[Resolution\|resolution]] 2.20Å' 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=7RKG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7RKG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7rkg]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Griffithsia_sp._Q66D336 Griffithsia sp. Q66D336]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7RKG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7RKG 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=7rkg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7rkg OCA], [https://pdbe.org/7rkg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7rkg RCSB], [https://www.ebi.ac.uk/pdbsum/7rkg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7rkg ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</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=7rkg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7rkg OCA], [https://pdbe.org/7rkg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7rkg RCSB], [https://www.ebi.ac.uk/pdbsum/7rkg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7rkg ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/GRFIN_GRISQ GRFIN_GRISQ]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Lectins, carbohydrate-binding proteins of nonimmune origin, bind to carbohydrates and glycan shields present on the surfaces of cells and viral spike proteins. Lectins thus hold great promise as therapeutic and diagnostic proteins, exemplified by their potent antiviral activities and the desire to engineer synthetic carbohydrate receptors based on lectin recognition principles. Here, we describe a new carbohydrate-binding architectural motif horizontal line namely, a C(3)-symmetric tyrosine-based aromatic core, present in the therapeutic lectin griffithsin (GRFT). By using structure-based amino acid substitutions, X-ray crystallography, molecular dynamics (MD) simulations, and HIV-1 neutralization assays, we show that this core is critical for potent (pM) antiviral activity and nanomolar binding to the glycan shield largely consisting of high mannose glycans. Crystal structures and MD simulations show that CH-pi interactions stabilize the aromatic cluster to maintain the three pseudo-symmetric carbohydrate-binding sites, nonaromatic amino acid substitutions (Tyr to Ala) abrogate antiviral activity, and increasing the aromatic CH-pi edge-to-centroid interface via a Tyr to Trp substitution yields a GRFT variant with improved potency and increased residence time of Man-9 observed in MD simulations. NMR titrations of a Tyr-to-Ala variant indicate that disruption of the aromatic prevents the intermolecular crosslinking between two equivalents of Man-9 and one carbohydrate-binding face observed in wild-type GRFT and known to be critical for picomolar potency of this lectin. This C(3)-symmetric aromatic core defines a new recognition motif for the design of carbohydrate receptors and suggests principles for engineering known lectins to have increased affinity and stability.
		+
		+	C(3)-Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity.,Sun J, Zhao G, Bylund T, Lee M, Adibhatla S, Kwong PD, Chuang GY, Rawi R, Bewley CA ACS Chem Biol. 2022 Jun 17;17(6):1450-1459. doi: 10.1021/acschembio.1c00990. Epub , 2022 May 10. PMID:35537058<ref>PMID:35537058</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7rkg" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Griffithsia sp. Q66D336]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Bewley C]]		[[Category: Bewley C]]
	[[Category: Sun J]]		[[Category: Sun J]]
	[[Category: Zhao G]]		[[Category: Zhao G]]

OCA at 07:58, 25 May 2022

OCA — Wed, 25 May 2022 07:58:50 GMT

←Older revision		Revision as of 07:58, 25 May 2022
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7rkg ~~is ON HOLD until Paper Publication~~	+	==Griffithsin mutant Y28W==
-		+	<StructureSection load='7rkg' size='340' side='right'caption='[[7rkg]]' scene=''>
-	~~Authors~~: ~~Zhao~~, G., ~~Sun~~, J., ~~Bewley~~, C.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7RKG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7RKG FirstGlance]. <br>
-	~~Description: Griffithsin mutant Y28W~~	+	</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=7rkg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7rkg OCA], [https://pdbe.org/7rkg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7rkg RCSB], [https://www.ebi.ac.uk/pdbsum/7rkg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7rkg ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: Bewley, C]]	+	__TOC__
-	[[Category: Sun, J]]	+	</StructureSection>
-	[[Category: Zhao, G]]	+	[[Category: Large Structures]]
		+	[[Category: Bewley C]]
		+	[[Category: Sun J]]
		+	[[Category: Zhao G]]

OCA at 05:15, 25 August 2021

OCA — Wed, 25 Aug 2021 05:15:51 GMT

←Older revision		Revision as of 05:15, 25 August 2021
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Zhao, G., Sun, J., Bewley, C.		Authors: Zhao, G., Sun, J., Bewley, C.

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

OCA — Wed, 28 Jul 2021 09:40:08 GMT

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

←Older revision

Revision as of 09:40, 28 July 2021

OCA: New page: '''Unreleased structure''' The entry 7rkg is ON HOLD Authors: Zhao, G., Sun, J., Bewley, C. Description: Griffithsin mutant Y28W Category: Unreleased Structures [[Category: Bewley,...

OCA — Wed, 28 Jul 2021 09:40:07 GMT

New page: '''Unreleased structure''' The entry 7rkg is ON HOLD Authors: Zhao, G., Sun, J., Bewley, C. Description: Griffithsin mutant Y28W Category: Unreleased Structures [[Category: Bewley,...

New page

'''Unreleased structure'''

The entry 7rkg is ON HOLD

Authors: Zhao, G., Sun, J., Bewley, C.

Description: Griffithsin mutant Y28W
[[Category: Unreleased Structures]]
[[Category: Bewley, C]]
[[Category: Sun, J]]
[[Category: Zhao, G]]