5er5 - Revision history

OCA at 08:18, 12 July 2023

OCA — Wed, 12 Jul 2023 08:18:05 GMT

←Older revision		Revision as of 08:18, 12 July 2023
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	<StructureSection load='5er5' size='340' side='right'caption='[[5er5]], [[Resolution\|resolution]] 1.26Å' scene=''>		<StructureSection load='5er5' size='340' side='right'caption='[[5er5]], [[Resolution\|resolution]] 1.26Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5er5]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Bovin Bovin~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ER5 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5ER5 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5er5]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ER5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ER5 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat"~~><scene name~~=~~'pdbligand=CA:CALCIUM+ION'>CA</scene~~>, ~~<scene name='pdbligand=ET:ETHIDIUM'>ET</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]] 1.26Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat">~~[[5er4\|5er4]], [[5dkr\|5dkr]], [[4pez\|4pez]]~~<~~/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=ET:ETHIDIUM'>ET</scene></td></tr>
-	<~~tr id~~='~~gene'><td class~~=~~"sblockLbl"><b>[[Gene\|Gene~~:~~]]</b~~></td>~~<td class="sblockDat">S100B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9913 BOVIN])~~</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=5er5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5er5 OCA], [https://pdbe.org/5er5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5er5 RCSB], [https://www.ebi.ac.uk/pdbsum/5er5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5er5 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=5er5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5er5 OCA], [~~http~~://pdbe.org/5er5 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5er5 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5er5 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5er5 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/S100B_BOVIN S100B_BOVIN]] Weakly binds calcium but binds zinc very tightly-distinct binding sites with different affinities exist for both ions on each monomer. Physiological concentrations of potassium ion antagonize the binding of both divalent cations, especially affecting high-affinity calcium-binding sites. Binds to and initiates the activation of STK38 by releasing autoinhibitory intramolecular interactions within the kinase. Interaction with AGER after myocardial infarction may play a role in myocyte apoptosis by activating ERK1/2 and p53/TP53 signaling. Could assist ATAD3A cytoplasmic processing, preventing aggregation and favoring mitochondrial localization (By similarity).<ref>PMID:14661952</ref>	+	[https://www.uniprot.org/uniprot/S100B_BOVIN S100B_BOVIN] Weakly binds calcium but binds zinc very tightly-distinct binding sites with different affinities exist for both ions on each monomer. Physiological concentrations of potassium ion antagonize the binding of both divalent cations, especially affecting high-affinity calcium-binding sites. Binds to and initiates the activation of STK38 by releasing autoinhibitory intramolecular interactions within the kinase. Interaction with AGER after myocardial infarction may play a role in myocyte apoptosis by activating ERK1/2 and p53/TP53 signaling. Could assist ATAD3A cytoplasmic processing, preventing aggregation and favoring mitochondrial localization (By similarity).<ref>PMID:14661952</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	==See Also==		==See Also==
-	*[[S100 ~~protein~~\|S100 ~~protein~~]]	+	*[[S100 proteins 3D structures\|S100 proteins 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Bovin~~]]	+	[[Category: Bos taurus]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Alasady~~, M J~~]]	+	[[Category: Alasady MJ]]
-	[[Category: Aligholizadeh, E]]	+	[[Category: Aligholizadeh E]]
-	[[Category: Cavalier~~, M C~~]]	+	[[Category: Cavalier MC]]
-	[[Category: Fang, L]]	+	[[Category: Fang L]]
-	[[Category: MacKerell~~, A D~~]]	+	[[Category: MacKerell Jr AD]]
-	[[Category: Melville~~, Z E~~]]	+	[[Category: Melville ZE]]
-	[[Category: Pierce~~, A D~~]]	+	[[Category: Pierce AD]]
-	[[Category: Weber~~, D J~~]]	+	[[Category: Weber DJ]]
-	[[Category: Wilder~~, P T]]~~	+	[[Category: Wilder PT]]
-	~~[[Category: Calcium binding]]~~	+
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Covalent inhibitor]]~~	+
-	~~[[Category: Malignant melanoma]]~~	+
-	~~[[Category: Metal binding protein-inhibitor complex~~]]	+

OCA at 09:02, 4 December 2019

OCA — Wed, 04 Dec 2019 09:02:11 GMT

←Older revision		Revision as of 09:02, 4 December 2019
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	==Crystal Structure of Calcium-loaded S100B bound to SC1990==		==Crystal Structure of Calcium-loaded S100B bound to SC1990==
-	<StructureSection load='5er5' size='340' side='right' caption='[[5er5]], [[Resolution\|resolution]] 1.26Å' scene=''>	+	<StructureSection load='5er5' size='340' side='right'caption='[[5er5]], [[Resolution\|resolution]] 1.26Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5er5]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ER5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ER5 FirstGlance]. <br>		<table><tr><td colspan='2'>[[5er5]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ER5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ER5 FirstGlance]. <br>
Line 28:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Bovin]]		[[Category: Bovin]]
		+	[[Category: Large Structures]]
	[[Category: Alasady, M J]]		[[Category: Alasady, M J]]
	[[Category: Aligholizadeh, E]]		[[Category: Aligholizadeh, E]]

OCA at 06:20, 18 April 2018

OCA — Wed, 18 Apr 2018 06:20:35 GMT

←Older revision		Revision as of 06:20, 18 April 2018
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	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/S100B_BOVIN S100B_BOVIN]] Weakly binds calcium but binds zinc very tightly-distinct binding sites with different affinities exist for both ions on each monomer. Physiological concentrations of potassium ion antagonize the binding of both divalent cations, especially affecting high-affinity calcium-binding sites. Binds to and initiates the activation of STK38 by releasing autoinhibitory intramolecular interactions within the kinase. Interaction with AGER after myocardial infarction may play a role in myocyte apoptosis by activating ERK1/2 and p53/TP53 signaling. Could assist ATAD3A cytoplasmic processing, preventing aggregation and favoring mitochondrial localization (By similarity).<ref>PMID:14661952</ref>		[[http://www.uniprot.org/uniprot/S100B_BOVIN S100B_BOVIN]] Weakly binds calcium but binds zinc very tightly-distinct binding sites with different affinities exist for both ions on each monomer. Physiological concentrations of potassium ion antagonize the binding of both divalent cations, especially affecting high-affinity calcium-binding sites. Binds to and initiates the activation of STK38 by releasing autoinhibitory intramolecular interactions within the kinase. Interaction with AGER after myocardial infarction may play a role in myocyte apoptosis by activating ERK1/2 and p53/TP53 signaling. Could assist ATAD3A cytoplasmic processing, preventing aggregation and favoring mitochondrial localization (By similarity).<ref>PMID:14661952</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Structure-based drug discovery is under way to identify and develop small-molecule S100B inhibitors (SBiXs). Such inhibitors have therapeutic potential for treating malignant melanoma, since high levels of S100B downregulate wild-type p53 tumor suppressor function in this cancer. Computational and X-ray crystallographic studies of two S100B-SBiX complexes are described, and both compounds (apomorphine hydrochloride and ethidium bromide) occupy an area of the S100B hydrophobic cleft which is termed site 3. These data also reveal novel protein-inhibitor interactions which can be used in future drug-design studies to improve SBiX affinity and specificity. Of particular interest, apomorphine hydrochloride showed S100B-dependent killing in melanoma cell assays, although the efficacy exceeds its affinity for S100B and implicates possible off-target contributions. Because there are no structural data available for compounds occupying site 3 alone, these studies contribute towards the structure-based approach to targeting S100B by including interactions with residues in site 3 of S100B.
		+
		+	Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography.,Cavalier MC, Melville Z, Aligholizadeh E, Raman EP, Yu W, Fang L, Alasady M, Pierce AD, Wilder PT, MacKerell AD Jr, Weber DJ Acta Crystallogr D Struct Biol. 2016 Jun;72(Pt 6):753-60. doi:, 10.1107/S2059798316005532. Epub 2016 May 25. PMID:27303795<ref>PMID:27303795</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5er5" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[S100 protein\|S100 protein]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 12:39, 6 November 2017

OCA — Mon, 06 Nov 2017 12:39:38 GMT

←Older revision		Revision as of 12:39, 6 November 2017
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	<StructureSection load='5er5' size='340' side='right' caption='[[5er5]], [[Resolution\|resolution]] 1.26Å' scene=''>		<StructureSection load='5er5' size='340' side='right' caption='[[5er5]], [[Resolution\|resolution]] 1.26Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5er5]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ER5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ER5 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5er5]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ER5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ER5 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=ET:ETHIDIUM'>ET</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=ET:ETHIDIUM'>ET</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5er4\|5er4]], [[5dkr\|5dkr]], [[4pez\|4pez]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5er4\|5er4]], [[5dkr\|5dkr]], [[4pez\|4pez]]</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=5er5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5er5 OCA], [http://pdbe.org/5er5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5er5 RCSB], [http://www.ebi.ac.uk/pdbsum/5er5 PDBsum]</span></td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">S100B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9913 BOVIN])</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=5er5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5er5 OCA], [http://pdbe.org/5er5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5er5 RCSB], [http://www.ebi.ac.uk/pdbsum/5er5 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5er5 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 14:		Line 15:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Bovin]]
	[[Category: Alasady, M J]]		[[Category: Alasady, M J]]
	[[Category: Aligholizadeh, E]]		[[Category: Aligholizadeh, E]]

OCA at 15:22, 20 June 2016

OCA — Mon, 20 Jun 2016 15:22:23 GMT

←Older revision		Revision as of 15:22, 20 June 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5er5 ~~is ON HOLD until Paper Publication~~	+	==Crystal Structure of Calcium-loaded S100B bound to SC1990==
-		+	<StructureSection load='5er5' size='340' side='right' caption='[[5er5]], [[Resolution\|resolution]] 1.26Å' scene=''>
-	~~Authors~~: ~~Cavalier, M~~.C.~~, Melville, Z~~.E.~~, Aligholizadeh, E~~.~~, Fang, L~~.~~, Alasady, M~~.J., ~~Pierce~~, A.D., ~~Wilder, P~~.T., ~~MacKerell Jr~~., A.D., ~~Weber, D~~.J.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5er5]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ER5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ER5 FirstGlance]. <br>
-	~~Description~~: ~~Crystal Structure~~ of ~~Calcium~~-~~loaded S100B bound~~ to ~~SC1990~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=ET:ETHIDIUM'>ET</scene></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5er4\|5er4]], [[5dkr\|5dkr]], [[4pez\|4pez]]</td></tr>
-	[[Category: ~~A.D~~]]	+	<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=5er5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5er5 OCA], [http://pdbe.org/5er5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5er5 RCSB], [http://www.ebi.ac.uk/pdbsum/5er5 PDBsum]</span></td></tr>
-	[[Category: ~~Mackerell Jr~~]]	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/S100B_BOVIN S100B_BOVIN]] Weakly binds calcium but binds zinc very tightly-distinct binding sites with different affinities exist for both ions on each monomer. Physiological concentrations of potassium ion antagonize the binding of both divalent cations, especially affecting high-affinity calcium-binding sites. Binds to and initiates the activation of STK38 by releasing autoinhibitory intramolecular interactions within the kinase. Interaction with AGER after myocardial infarction may play a role in myocyte apoptosis by activating ERK1/2 and p53/TP53 signaling. Could assist ATAD3A cytoplasmic processing, preventing aggregation and favoring mitochondrial localization (By similarity).<ref>PMID:14661952</ref>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Alasady, M J]]
		+	[[Category: Aligholizadeh, E]]
		+	[[Category: Cavalier, M C]]
	[[Category: Fang, L]]		[[Category: Fang, L]]
-	[[Category: ~~Cavalier~~, ~~M.C~~]]	+	[[Category: MacKerell, A D]]
-	[[Category: ~~Weber~~, ~~D.J~~]]	+	[[Category: Melville, Z E]]
-	[[Category: ~~Alasady~~, ~~M.J~~]]	+	[[Category: Pierce, A D]]
-	[[Category: ~~Pierce~~, A.D]]	+	[[Category: Weber, D J]]
-	[[Category: ~~Melville~~, ~~Z.E~~]]	+	[[Category: Wilder, P T]]
-	[[Category: ~~Wilder, P.T~~]]	+	[[Category: Calcium binding]]
-	[[Category: ~~Aligholizadeh, E~~]]	+	[[Category: Complex]]
		+	[[Category: Covalent inhibitor]]
		+	[[Category: Malignant melanoma]]
		+	[[Category: Metal binding protein-inhibitor complex]]

OCA at 14:56, 2 December 2015

OCA — Wed, 02 Dec 2015 14:56:01 GMT

←Older revision		Revision as of 14:56, 2 December 2015
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5er5 is ON HOLD	+	The entry 5er5 is ON HOLD until Paper Publication

	Authors: Cavalier, M.C., Melville, Z.E., Aligholizadeh, E., Fang, L., Alasady, M.J., Pierce, A.D., Wilder, P.T., MacKerell Jr., A.D., Weber, D.J.		Authors: Cavalier, M.C., Melville, Z.E., Aligholizadeh, E., Fang, L., Alasady, M.J., Pierce, A.D., Wilder, P.T., MacKerell Jr., A.D., Weber, D.J.

OCA: Protected "5er5" [edit=sysop:move=sysop]

OCA — Tue, 01 Dec 2015 03:15:30 GMT

Protected "5er5" [edit=sysop:move=sysop]

←Older revision

Revision as of 03:15, 1 December 2015

OCA: New page: '''Unreleased structure''' The entry 5er5 is ON HOLD Authors: Cavalier, M.C., Melville, Z.E., Aligholizadeh, E., Fang, L., Alasady, M.J., Pierce, A.D., Wilder, P.T., MacKerell Jr., A.D....

OCA — Tue, 01 Dec 2015 03:15:29 GMT

New page: '''Unreleased structure''' The entry 5er5 is ON HOLD Authors: Cavalier, M.C., Melville, Z.E., Aligholizadeh, E., Fang, L., Alasady, M.J., Pierce, A.D., Wilder, P.T., MacKerell Jr., A.D....

New page

'''Unreleased structure'''

The entry 5er5 is ON HOLD

Authors: Cavalier, M.C., Melville, Z.E., Aligholizadeh, E., Fang, L., Alasady, M.J., Pierce, A.D., Wilder, P.T., MacKerell Jr., A.D., Weber, D.J.

Description: Crystal Structure of Calcium-loaded S100B bound to SC1990
[[Category: Unreleased Structures]]
[[Category: A.D]]
[[Category: Mackerell Jr]]
[[Category: Fang, L]]
[[Category: Cavalier, M.C]]
[[Category: Weber, D.J]]
[[Category: Alasady, M.J]]
[[Category: Pierce, A.D]]
[[Category: Melville, Z.E]]
[[Category: Wilder, P.T]]
[[Category: Aligholizadeh, E]]