4rfd - Revision history

OCA at 12:52, 1 March 2024

OCA — Fri, 01 Mar 2024 12:52:01 GMT

←Older revision		Revision as of 12:52, 1 March 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4rfd]] 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=4RFD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4RFD FirstGlance]. <br>		<table><tr><td colspan='2'>[[4rfd]] 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=4RFD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4RFD FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3O5:4-(4-SULFAMOYL-PHENOXY)-BUTYLAMMONIUM'>3O5</scene>, <scene name='pdbligand=BCT:BICARBONATE+ION'>BCT</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]] 1.631Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3O5:4-(4-SULFAMOYL-PHENOXY)-BUTYLAMMONIUM'>3O5</scene>, <scene name='pdbligand=BCT:BICARBONATE+ION'>BCT</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=4rfd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rfd OCA], [https://pdbe.org/4rfd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4rfd RCSB], [https://www.ebi.ac.uk/pdbsum/4rfd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4rfd 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=4rfd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rfd OCA], [https://pdbe.org/4rfd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4rfd RCSB], [https://www.ebi.ac.uk/pdbsum/4rfd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4rfd ProSAT]</span></td></tr>
	</table>		</table>
Line 11:		Line 12:
	== Function ==		== 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>		[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 ==
-	We report a series of 4-sulfamoylphenyl-omega-aminoalkyl ethers as carbonic anhydrase (CA, EC 4.2.1.1) inhibitors. The structure-activity relationship was drawn for the inhibition of four physiologically relevant isoforms: hCA I, II, IX, and XII. Many of these compounds were highly effective, low nanomolar inhibitors of all CA isoforms, whereas several isoform-selective were also identified. X-ray crystal structures of two new sulfonamides bound to the physiologically dominant CA II isoform showed the tails of these derivatives bound within the hydrophobic half of the enzyme active site through van der Waals contacts with Val135, Leu198, Leu204, Trp209, Pro201, and Pro202 amino acids. One of the highly water-soluble compound (as trifluoroacetate salt) showed effective IOP lowering properties in an animal model of glaucoma. Several fluorescent sulfonamides incorporating either the fluorescein-thiourea (7a-c) or tetramethylrhodamine-thiourea (9a,b) moieties were also obtained and showed interesting CA inhibitory properties for the tumor-associated isoforms CA IX and XII.
-
-	A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.,Bozdag M, Pinard M, Carta F, Masini E, Scozzafava A, McKenna R, Supuran CT J Med Chem. 2014 Nov 26;57(22):9673-86. doi: 10.1021/jm501497m. Epub 2014 Nov 10. PMID:25358036<ref>PMID:25358036</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 4rfd" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==

OCA at 06:53, 2 March 2023

OCA — Thu, 02 Mar 2023 06:53:40 GMT

←Older revision		Revision as of 06:53, 2 March 2023
Line 1:		Line 1:

	==Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium==		==Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium==
-	<StructureSection load='4rfd' size='340' side='right' caption='[[4rfd]], [[Resolution\|resolution]] 1.63Å' scene=''>	+	<StructureSection load='4rfd' size='340' side='right'caption='[[4rfd]], [[Resolution\|resolution]] 1.63Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4rfd]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4RFD OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4RFD FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4rfd]] 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=4RFD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4RFD FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3O5:4-(4-SULFAMOYL-PHENOXY)-BUTYLAMMONIUM'>3O5</scene>, <scene name='pdbligand=BCT:BICARBONATE+ION'>BCT</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3O5:4-(4-SULFAMOYL-PHENOXY)-BUTYLAMMONIUM'>3O5</scene>, <scene name='pdbligand=BCT:BICARBONATE+ION'>BCT</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4rfc\|4rfc]]</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=4rfd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rfd OCA], [https://pdbe.org/4rfd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4rfd RCSB], [https://www.ebi.ac.uk/pdbsum/4rfd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4rfd ProSAT]</span></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CA2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=4rfd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rfd OCA], [~~http~~://pdbe.org/4rfd PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4rfd RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4rfd PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4rfd ProSAT]</span></td></tr>	+
	</table>		</table>
	== Disease ==		== Disease ==
-	[~~[http~~://www.uniprot.org/uniprot/CAH2_HUMAN CAH2_HUMAN]] Defects in CA2 are the cause of osteopetrosis autosomal recessive type 3 (OPTB3) [MIM:[~~http~~://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>	+	[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 ==		== Function ==
-	[~~[http~~://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>	+	[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 ==
Line 23:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 4rfd" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4rfd" 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: ~~Human~~]]	+	[[Category: Large Structures]]
-	[[Category: Bozdag, M]]	+	[[Category: Bozdag M]]
-	[[Category: Carta, F]]	+	[[Category: Carta F]]
-	[[Category: Masini, E]]	+	[[Category: Masini E]]
-	[[Category: Mckenna, R]]	+	[[Category: Mckenna R]]
-	[[Category: Pinard~~, M A~~]]	+	[[Category: Pinard MA]]
-	[[Category: Scozzafava, A]]	+	[[Category: Scozzafava A]]
-	[[Category: Supuran~~, C T]]~~	+	[[Category: Supuran CT]]
-	~~[[Category: Antiglaucoma]]~~	+
-	~~[[Category: Carbonic anhydrase]]~~	+
-	~~[[Category: Lyase]]~~	+
-	~~[[Category: Sulfonamide~~]]	+

OCA at 09:04, 22 November 2017

OCA — Wed, 22 Nov 2017 09:04:58 GMT

←Older revision		Revision as of 09:04, 22 November 2017
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	<StructureSection load='4rfd' size='340' side='right' caption='[[4rfd]], [[Resolution\|resolution]] 1.63Å' scene=''>		<StructureSection load='4rfd' size='340' side='right' caption='[[4rfd]], [[Resolution\|resolution]] 1.63Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4rfd]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4RFD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4RFD FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4rfd]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4RFD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4RFD FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3O5:4-(4-SULFAMOYL-PHENOXY)-BUTYLAMMONIUM'>3O5</scene>, <scene name='pdbligand=BCT:BICARBONATE+ION'>BCT</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3O5:4-(4-SULFAMOYL-PHENOXY)-BUTYLAMMONIUM'>3O5</scene>, <scene name='pdbligand=BCT:BICARBONATE+ION'>BCT</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4rfc\|4rfc]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4rfc\|4rfc]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CA2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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='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=4rfd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rfd OCA], [http://pdbe.org/4rfd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4rfd RCSB], [http://www.ebi.ac.uk/pdbsum/4rfd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4rfd 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=4rfd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rfd OCA], [http://pdbe.org/4rfd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4rfd RCSB], [http://www.ebi.ac.uk/pdbsum/4rfd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4rfd ProSAT]</span></td></tr>
Line 27:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Carbonate dehydratase]]		[[Category: Carbonate dehydratase]]
		+	[[Category: Human]]
	[[Category: Bozdag, M]]		[[Category: Bozdag, M]]
	[[Category: Carta, F]]		[[Category: Carta, F]]

OCA at 17:25, 18 January 2017

OCA — Wed, 18 Jan 2017 17:25:48 GMT

←Older revision		Revision as of 17:25, 18 January 2017
Line 1:		Line 1:
		+
	==Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium==		==Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium==
	<StructureSection load='4rfd' size='340' side='right' caption='[[4rfd]], [[Resolution\|resolution]] 1.63Å' scene=''>		<StructureSection load='4rfd' size='340' side='right' caption='[[4rfd]], [[Resolution\|resolution]] 1.63Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4rfc\|4rfc]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4rfc\|4rfc]]</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='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=4rfd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rfd OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4rfd RCSB], [http://www.ebi.ac.uk/pdbsum/4rfd PDBsum]</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=4rfd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rfd OCA], [http://pdbe.org/4rfd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4rfd RCSB], [http://www.ebi.ac.uk/pdbsum/4rfd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4rfd ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
Line 20:		Line 21:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 4rfd" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 12:53, 15 April 2015

OCA — Wed, 15 Apr 2015 12:53:26 GMT

←Older revision		Revision as of 12:53, 15 April 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium==
		+	<StructureSection load='4rfd' size='340' side='right' caption='[[4rfd]], [[Resolution\|resolution]] 1.63Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4rfd]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4RFD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4RFD FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3O5:4-(4-SULFAMOYL-PHENOXY)-BUTYLAMMONIUM'>3O5</scene>, <scene name='pdbligand=BCT:BICARBONATE+ION'>BCT</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4rfc\|4rfc]]</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=4rfd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rfd OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4rfd RCSB], [http://www.ebi.ac.uk/pdbsum/4rfd PDBsum]</span></td></tr>
		+	</table>
		+	== Disease ==
		+	[[http://www.uniprot.org/uniprot/CAH2_HUMAN CAH2_HUMAN]] Defects in CA2 are the cause of osteopetrosis autosomal recessive type 3 (OPTB3) [MIM:[http://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 ==
		+	[[http://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 ==
		+	We report a series of 4-sulfamoylphenyl-omega-aminoalkyl ethers as carbonic anhydrase (CA, EC 4.2.1.1) inhibitors. The structure-activity relationship was drawn for the inhibition of four physiologically relevant isoforms: hCA I, II, IX, and XII. Many of these compounds were highly effective, low nanomolar inhibitors of all CA isoforms, whereas several isoform-selective were also identified. X-ray crystal structures of two new sulfonamides bound to the physiologically dominant CA II isoform showed the tails of these derivatives bound within the hydrophobic half of the enzyme active site through van der Waals contacts with Val135, Leu198, Leu204, Trp209, Pro201, and Pro202 amino acids. One of the highly water-soluble compound (as trifluoroacetate salt) showed effective IOP lowering properties in an animal model of glaucoma. Several fluorescent sulfonamides incorporating either the fluorescein-thiourea (7a-c) or tetramethylrhodamine-thiourea (9a,b) moieties were also obtained and showed interesting CA inhibitory properties for the tumor-associated isoforms CA IX and XII.

-	~~The entry 4rfd is ON HOLD until Paper Publication~~	+	A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.,Bozdag M, Pinard M, Carta F, Masini E, Scozzafava A, McKenna R, Supuran CT J Med Chem. 2014 Nov 26;57(22):9673-86. doi: 10.1021/jm501497m. Epub 2014 Nov 10. PMID:25358036<ref>PMID:25358036</ref>

-	~~Authors: Bozdag~~, M.~~, Pinard, M~~.~~A., Carta, F., Masini, E., Scozzafava, A., Mckenna, R., Supuran, C.T~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description: Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium~~	+	== References ==
-	~~[[Category: Unreleased Structures]]~~	+	<references/>
-	~~[[Category: Scozzafava, A]]~~	+	__TOC__
-	[[Category: ~~Mckenna, R~~]]	+	</StructureSection>
		+	[[Category: Carbonate dehydratase]]
	[[Category: Bozdag, M]]		[[Category: Bozdag, M]]
		+	[[Category: Carta, F]]
	[[Category: Masini, E]]		[[Category: Masini, E]]
-	[[Category: ~~Supuran~~, ~~C.T~~]]	+	[[Category: Mckenna, R]]
-	[[Category: ~~Carta~~, F]]	+	[[Category: Pinard, M A]]
-	[[Category: ~~Pinard~~, M.A]]	+	[[Category: Scozzafava, A]]
		+	[[Category: Supuran, C T]]
		+	[[Category: Antiglaucoma]]
		+	[[Category: Carbonic anhydrase]]
		+	[[Category: Lyase]]
		+	[[Category: Sulfonamide]]

OCA at 11:51, 31 December 2014

OCA — Wed, 31 Dec 2014 11:51:56 GMT

←Older revision		Revision as of 11:51, 31 December 2014
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4rfd is ON HOLD	+	The entry 4rfd is ON HOLD until Paper Publication

	Authors: Bozdag, M., Pinard, M.A., Carta, F., Masini, E., Scozzafava, A., Mckenna, R., Supuran, C.T.		Authors: Bozdag, M., Pinard, M.A., Carta, F., Masini, E., Scozzafava, A., Mckenna, R., Supuran, C.T.

-	Description: Human ~~Carbonic Anhydrase~~ II in complex with 6-(4-sulfamoyl-phenoxy)-~~hexyl-ammonium trifluoroacetate salt~~	+	Description: Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Scozzafava, A]]		[[Category: Scozzafava, A]]

OCA at 16:48, 24 December 2014

OCA — Wed, 24 Dec 2014 16:48:48 GMT

←Older revision		Revision as of 16:48, 24 December 2014
Line 6:		Line 6:

	Description: Human Carbonic Anhydrase II in complex with 6-(4-sulfamoyl-phenoxy)-hexyl-ammonium trifluoroacetate salt		Description: Human Carbonic Anhydrase II in complex with 6-(4-sulfamoyl-phenoxy)-hexyl-ammonium trifluoroacetate salt
		+	[[Category: Unreleased Structures]]
		+	[[Category: Scozzafava, A]]
		+	[[Category: Mckenna, R]]
		+	[[Category: Bozdag, M]]
		+	[[Category: Masini, E]]
		+	[[Category: Supuran, C.T]]
		+	[[Category: Carta, F]]
		+	[[Category: Pinard, M.A]]

OCA at 06:32, 8 October 2014

OCA — Wed, 08 Oct 2014 06:32:42 GMT

←Older revision		Revision as of 06:32, 8 October 2014
Line 3:		Line 3:
	The entry 4rfd is ON HOLD		The entry 4rfd is ON HOLD

-	Authors: ~~Murat~~ Bozdag, ~~Melissa A~~. Pinard, ~~Fabrizio~~ Carta, ~~Emanuela~~ Masini, ~~Andrea~~ Scozzafava, ~~Robert~~ Mckenna, ~~Claudiu T~~. Supuran	+	Authors: Bozdag, M., Pinard, M.A., Carta, F., Masini, E., Scozzafava, A., Mckenna, R., Supuran, C.T.

	Description: Human Carbonic Anhydrase II in complex with 6-(4-sulfamoyl-phenoxy)-hexyl-ammonium trifluoroacetate salt		Description: Human Carbonic Anhydrase II in complex with 6-(4-sulfamoyl-phenoxy)-hexyl-ammonium trifluoroacetate salt

OCA: Protected "4rfd" [edit=sysop:move=sysop]

OCA — Wed, 01 Oct 2014 23:12:37 GMT

Protected "4rfd" [edit=sysop:move=sysop]

←Older revision

Revision as of 23:12, 1 October 2014

OCA: New page: '''Unreleased structure''' The entry 4rfd is ON HOLD Authors: Murat Bozdag, Melissa A. Pinard, Fabrizio Carta, Emanuela Masini, Andrea Scozzafava, Robert Mckenna, Claudiu T. Supuran De...

OCA — Wed, 01 Oct 2014 23:12:36 GMT

New page: '''Unreleased structure''' The entry 4rfd is ON HOLD Authors: Murat Bozdag, Melissa A. Pinard, Fabrizio Carta, Emanuela Masini, Andrea Scozzafava, Robert Mckenna, Claudiu T. Supuran De...

New page

'''Unreleased structure'''

The entry 4rfd is ON HOLD

Authors: Murat Bozdag, Melissa A. Pinard, Fabrizio Carta, Emanuela Masini, Andrea Scozzafava, Robert Mckenna, Claudiu T. Supuran

Description: Human Carbonic Anhydrase II in complex with 6-(4-sulfamoyl-phenoxy)-hexyl-ammonium trifluoroacetate salt