6vkg - Revision history

OCA at 08:14, 11 October 2023

OCA — Wed, 11 Oct 2023 08:14:21 GMT

←Older revision		Revision as of 08:14, 11 October 2023
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	<StructureSection load='6vkg' size='340' side='right'caption='[[6vkg]], [[Resolution\|resolution]] 1.37Å' scene=''>		<StructureSection load='6vkg' size='340' side='right'caption='[[6vkg]], [[Resolution\|resolution]] 1.37Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6vkg]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VKG OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6VKG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6vkg]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VKG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6VKG FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BBJ:N-(3-bromo-4-fluorophenyl)-N-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide'>BBJ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 1.37Å</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.1 4.2.1.1] </span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BBJ:N-(3-bromo-4-fluorophenyl)-N-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide'>BBJ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=6vkg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vkg OCA], [~~http~~://pdbe.org/6vkg PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6vkg RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6vkg PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6vkg 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=6vkg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vkg OCA], [https://pdbe.org/6vkg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6vkg RCSB], [https://www.ebi.ac.uk/pdbsum/6vkg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6vkg ProSAT]</span></td></tr>
	</table>		</table>
		+	== Disease ==
		+	[https://www.uniprot.org/uniprot/CAH2_HUMAN CAH2_HUMAN] Defects in CA2 are the cause of osteopetrosis autosomal recessive type 3 (OPTB3) [MIM:[https://omim.org/entry/259730 259730]; also known as osteopetrosis with renal tubular acidosis, carbonic anhydrase II deficiency syndrome, Guibaud-Vainsel syndrome or marble brain disease. Osteopetrosis is a rare genetic disease characterized by abnormally dense bone, due to defective resorption of immature bone. The disorder occurs in two forms: a severe autosomal recessive form occurring in utero, infancy, or childhood, and a benign autosomal dominant form occurring in adolescence or adulthood. Autosomal recessive osteopetrosis is usually associated with normal or elevated amount of non-functional osteoclasts. OPTB3 is associated with renal tubular acidosis, cerebral calcification (marble brain disease) and in some cases with mental retardation.<ref>PMID:1928091</ref> <ref>PMID:1542674</ref> <ref>PMID:8834238</ref> <ref>PMID:9143915</ref> <ref>PMID:15300855</ref>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/CAH2_HUMAN CAH2_HUMAN] Essential for bone resorption and osteoclast differentiation (By similarity). Reversible hydration of carbon dioxide. Can hydrate cyanamide to urea. Involved in the regulation of fluid secretion into the anterior chamber of the eye.<ref>PMID:10550681</ref> <ref>PMID:11831900</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 6vkg" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6vkg" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Carbonic anhydrase 3D structures\|Carbonic anhydrase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Carbonate dehydratase~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Carta, F]]	+	[[Category: Carta F]]
-	[[Category: Peat~~, T S~~]]	+	[[Category: Peat TS]]
-	[[Category: Supuran~~, C T]]~~	+	[[Category: Supuran CT]]
-	~~[[Category: Epacadostat]]~~	+
-	~~[[Category: Human carbonic anhydrase ix mimic]]~~	+
-	~~[[Category: Lyase-lyase inhibitor complex]]~~	+
-	~~[[Category: Metal binding protein]]~~	+
-	~~[[Category: Metalloenzyme~~]]	+

OCA at 06:58, 4 March 2020

OCA — Wed, 04 Mar 2020 06:58:09 GMT

←Older revision		Revision as of 06:58, 4 March 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6vkg is ~~ON HOLD until Paper~~ Publication	+	==Human carbonic anhydrase IX mimic with Epacadostat bound==
		+	<StructureSection load='6vkg' size='340' side='right'caption='[[6vkg]], [[Resolution\|resolution]] 1.37Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6vkg]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VKG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6VKG FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BBJ:N-(3-bromo-4-fluorophenyl)-N-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide'>BBJ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.1 4.2.1.1] </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=6vkg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vkg OCA], [http://pdbe.org/6vkg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6vkg RCSB], [http://www.ebi.ac.uk/pdbsum/6vkg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6vkg ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Epacadostat (EPA), a new and promising anti-cancer small molecule is firmly established as selective inhibitor of the enzyme indoleamine 2,3-dioxygenase 1 (IDO1). The X-Ray structure of the human CA IX mimic in complex with EPA is investigated here for the first time and compared to previously reported EPA-CA II adduct. The structural information obtained are all in agreement with the in vitro kinetic data which accounted for a selective inhibition of the CA IX over the CA II isoform.

-	~~Authors:~~ Peat, T.S., ~~Carta, F.~~, Supuran, C.T.	+	X-ray crystallography of Epacadostat in adduct with Carbonic Anhydrase IX.,Angeli A, Peat TS, Selleri S, Saleh Alfawaz Altamimi A, Supuran CT, Carta F Bioorg Chem. 2020 Feb 14;97:103669. doi: 10.1016/j.bioorg.2020.103669. PMID:32088421<ref>PMID:32088421</ref>

-	~~Description: Human carbonic anhydrase IX mimic with Epacadostat bound~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
-	[[Category: ~~Peat, T.S~~]]	+	<div class="pdbe-citations 6vkg" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Supuran, C.T~~]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Carbonate dehydratase]]
		+	[[Category: Large Structures]]
	[[Category: Carta, F]]		[[Category: Carta, F]]
		+	[[Category: Peat, T S]]
		+	[[Category: Supuran, C T]]
		+	[[Category: Epacadostat]]
		+	[[Category: Human carbonic anhydrase ix mimic]]
		+	[[Category: Lyase-lyase inhibitor complex]]
		+	[[Category: Metal binding protein]]
		+	[[Category: Metalloenzyme]]

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

OCA — Wed, 29 Jan 2020 13:37:45 GMT

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

←Older revision

Revision as of 13:37, 29 January 2020

OCA: New page: '''Unreleased structure''' The entry 6vkg is ON HOLD until Paper Publication Authors: Peat, T.S., Carta, F., Supuran, C.T. Description: Human carbonic anhydrase IX mimic with Epacadost...

OCA — Wed, 29 Jan 2020 13:37:43 GMT

New page: '''Unreleased structure''' The entry 6vkg is ON HOLD until Paper Publication Authors: Peat, T.S., Carta, F., Supuran, C.T. Description: Human carbonic anhydrase IX mimic with Epacadost...

New page

'''Unreleased structure'''

The entry 6vkg is ON HOLD until Paper Publication

Authors: Peat, T.S., Carta, F., Supuran, C.T.

Description: Human carbonic anhydrase IX mimic with Epacadostat bound
[[Category: Unreleased Structures]]
[[Category: Peat, T.S]]
[[Category: Supuran, C.T]]
[[Category: Carta, F]]