7qgx - Revision history

OCA at 13:18, 1 February 2024

OCA — Thu, 01 Feb 2024 13:18:14 GMT

←Older revision		Revision as of 13:18, 1 February 2024
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	==Human carbonic anhydrase II in complex with 3-((5-chloro-4-(4-chlorophenyl)thiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid==		==Human carbonic anhydrase II in complex with 3-((5-chloro-4-(4-chlorophenyl)thiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid==
-	<StructureSection load='7qgx' size='340' side='right'caption='[[7qgx]]' scene=''>	+	<StructureSection load='7qgx' size='340' side='right'caption='[[7qgx]], [[Resolution\|resolution]] 1.19Å' 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=7QGX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QGX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7qgx]] 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=7QGX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QGX 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=7qgx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qgx OCA], [https://pdbe.org/7qgx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qgx RCSB], [https://www.ebi.ac.uk/pdbsum/7qgx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qgx 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]] 1.19Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=D85:3-[[5-chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic+acid'>D85</scene>, <scene name='pdbligand=MLI:MALONATE+ION'>MLI</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'>[https://proteopedia.org/fgij/fg.htm?mol=7qgx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qgx OCA], [https://pdbe.org/7qgx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qgx RCSB], [https://www.ebi.ac.uk/pdbsum/7qgx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qgx 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;">
		+	== Publication Abstract from PubMed ==
		+	A series of novel benzenesulfonamide derivatives were synthesized bearing para-N beta,gamma-amino acid or para-N beta-amino acid and thiazole moieties and their binding to the human carbonic anhydrase (CA) isozymes determined. These enzymes are involved in various illnesses, such as glaucoma, altitude sickness, epilepsy, obesity, and even cancer. There are numerous compounds that are inhibitors of CA and used as pharmaceuticals. However, most of them bind to most CA isozymes with little selectivity. The design of high affinity and selectivity towards one CA isozyme remains a significant challenge. The beta and gamma amino acid-substituted compound affinities were determined by the fluorescent thermal shift assay and isothermal titration calorimetry for all 12 catalytically active human carbonic anhydrase isozymes, showing the full affinity and selectivity profile. The structures of several compounds were determined by X-ray crystallography, and the binding mode in the active site of CA enzyme was shown.
		+
		+	Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.,Balandis B, Simkunas T, Paketuryte-Latve V, Michailoviene V, Mickeviciute A, Manakova E, Grazulis S, Belyakov S, Kairys V, Mickevicius V, Zubriene A, Matulis D Pharmaceuticals (Basel). 2022 Apr 13;15(4). pii: ph15040477. doi:, 10.3390/ph15040477. PMID:35455474<ref>PMID:35455474</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7qgx" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Carbonic anhydrase 3D structures\|Carbonic anhydrase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Grazulis S]]		[[Category: Grazulis S]]

OCA at 12:49, 4 May 2022

OCA — Wed, 04 May 2022 12:49:05 GMT

←Older revision		Revision as of 12:49, 4 May 2022
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-	'''Unreleased structure'''

-	~~The entry 7qgx is ON HOLD until Paper Publication~~	+	==Human carbonic anhydrase II in complex with 3-((5-chloro-4-(4-chlorophenyl)thiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid==
-		+	<StructureSection load='7qgx' size='340' side='right'caption='[[7qgx]]' scene=''>
-	~~Authors: Paketuryte-Latve, V., Smirnov, A., Manakova, E., Grazulis, S.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7QGX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7QGX FirstGlance]. <br>
-	~~Description:~~ Human carbonic anhydrase II in complex with 3-((5-chloro-4-(4-chlorophenyl)thiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid	+	</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=7qgx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7qgx OCA], [https://pdbe.org/7qgx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7qgx RCSB], [https://www.ebi.ac.uk/pdbsum/7qgx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7qgx ProSAT]</span></td></tr>
-	[[~~Category~~: ~~Unreleased Structures~~]]	+	</table>
-	[[~~Category~~: ~~Manakova~~, E]]	+	__TOC__
-	[[Category: Grazulis, S]]	+	</StructureSection>
-	[[Category: Paketuryte-Latve, V]]	+	[[Category: Large Structures]]
-	[[Category: Smirnov, A]]	+	[[Category: Grazulis S]]
		+	[[Category: Manakova E]]
		+	[[Category: Paketuryte-Latve V]]
		+	[[Category: Smirnov A]]

OCA at 05:45, 19 January 2022

OCA — Wed, 19 Jan 2022 05:45:46 GMT

←Older revision		Revision as of 05:45, 19 January 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Paketuryte-Latve, V., Smirnov, A., Manakova, E., Grazulis, S.		Authors: Paketuryte-Latve, V., Smirnov, A., Manakova, E., Grazulis, S.
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	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Manakova, E]]		[[Category: Manakova, E]]
		+	[[Category: Grazulis, S]]
	[[Category: Paketuryte-Latve, V]]		[[Category: Paketuryte-Latve, V]]
	[[Category: Smirnov, A]]		[[Category: Smirnov, A]]
-	[[Category: Grazulis, S]]

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

OCA — Wed, 22 Dec 2021 13:54:10 GMT

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

←Older revision

Revision as of 13:54, 22 December 2021

OCA: New page: '''Unreleased structure''' The entry 7qgx is ON HOLD Authors: Paketuryte-Latve, V., Smirnov, A., Manakova, E., Grazulis, S. Description: Human carbonic anhydrase II in complex with 3-(...

OCA — Wed, 22 Dec 2021 13:54:09 GMT

New page: '''Unreleased structure''' The entry 7qgx is ON HOLD Authors: Paketuryte-Latve, V., Smirnov, A., Manakova, E., Grazulis, S. Description: Human carbonic anhydrase II in complex with 3-(...

New page

'''Unreleased structure'''

The entry 7qgx is ON HOLD

Authors: Paketuryte-Latve, V., Smirnov, A., Manakova, E., Grazulis, S.

Description: Human carbonic anhydrase II in complex with 3-((5-chloro-4-(4-chlorophenyl)thiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid
[[Category: Unreleased Structures]]
[[Category: Manakova, E]]
[[Category: Paketuryte-Latve, V]]
[[Category: Smirnov, A]]
[[Category: Grazulis, S]]