4qtl - Revision history

OCA at 15:10, 8 November 2023

OCA — Wed, 08 Nov 2023 15:10:04 GMT

←Older revision		Revision as of 15:10, 8 November 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4qtl]] 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=4QTL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4QTL FirstGlance]. <br>		<table><tr><td colspan='2'>[[4qtl]] 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=4QTL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4QTL FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=WWO:3-(BENZYLAMINO)-2,5,6-TRIFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>WWO</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]] 1.8Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=WWO:3-(BENZYLAMINO)-2,5,6-TRIFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>WWO</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=4qtl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qtl OCA], [https://pdbe.org/4qtl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4qtl RCSB], [https://www.ebi.ac.uk/pdbsum/4qtl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4qtl 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=4qtl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qtl OCA], [https://pdbe.org/4qtl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4qtl RCSB], [https://www.ebi.ac.uk/pdbsum/4qtl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4qtl ProSAT]</span></td></tr>
	</table>		</table>

OCA at 13:52, 22 February 2023

OCA — Wed, 22 Feb 2023 13:52:01 GMT

←Older revision		Revision as of 13:52, 22 February 2023
Line 3:		Line 3:
	<StructureSection load='4qtl' size='340' side='right'caption='[[4qtl]], [[Resolution\|resolution]] 1.80Å' scene=''>		<StructureSection load='4qtl' size='340' side='right'caption='[[4qtl]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4qtl]] 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=4QTL OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4QTL FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4qtl]] 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=4QTL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4QTL FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=WWO:3-(BENZYLAMINO)-2,5,6-TRIFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>WWO</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=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=WWO:3-(BENZYLAMINO)-2,5,6-TRIFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>WWO</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">[[4qiy\|4qiy]], [[4qiz\|4qiz]], [[4qj0\|4qj0]], [[4qjm\|4qjm]], [[4qjo\|4qjo]], [[4qjp\|4qjp]], [[4qjw\|4qjw]], [[4qjx\|4qjx]]</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=4qtl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qtl OCA], [https://pdbe.org/4qtl PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4qtl RCSB], [https://www.ebi.ac.uk/pdbsum/4qtl PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4qtl 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=4qtl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qtl OCA], [~~http~~://pdbe.org/4qtl PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4qtl RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4qtl PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4qtl 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 ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Carbonate dehydratase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Grazulis, S]]	+	[[Category: Grazulis S]]
-	[[Category: Manakova, E]]	+	[[Category: Manakova E]]
-	[[Category: Smirnov, A]]	+	[[Category: Smirnov A]]
-	~~[[Category: Benzenesulfonamide]]~~	+
-	~~[[Category: Carbonic anhydrase]]~~	+
-	~~[[Category: Drug design]]~~	+
-	~~[[Category: Lyase-lyase inhibitor complex]]~~	+
-	~~[[Category: Metal-binding~~]]	+

OCA at 09:25, 24 April 2019

OCA — Wed, 24 Apr 2019 09:25:49 GMT

←Older revision		Revision as of 09:25, 24 April 2019
Line 1:		Line 1:

	==Crystal structure of human carbonic anhydrase isozyme II with inhibitor==		==Crystal structure of human carbonic anhydrase isozyme II with inhibitor==
-	<StructureSection load='4qtl' size='340' side='right' caption='[[4qtl]], [[Resolution\|resolution]] 1.80Å' scene=''>	+	<StructureSection load='4qtl' size='340' side='right'caption='[[4qtl]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4qtl]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QTL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4QTL FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4qtl]] 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=4QTL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4QTL FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=WWO:3-(BENZYLAMINO)-2,5,6-TRIFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>WWO</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=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=WWO:3-(BENZYLAMINO)-2,5,6-TRIFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>WWO</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">[[4qiy\|4qiy]], [[4qiz\|4qiz]], [[4qj0\|4qj0]], [[4qjm\|4qjm]], [[4qjo\|4qjo]], [[4qjp\|4qjp]], [[4qjw\|4qjw]], [[4qjx\|4qjx]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qiy\|4qiy]], [[4qiz\|4qiz]], [[4qj0\|4qj0]], [[4qjm\|4qjm]], [[4qjo\|4qjo]], [[4qjp\|4qjp]], [[4qjw\|4qjw]], [[4qjx\|4qjx]]</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=4qtl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qtl OCA], [http://pdbe.org/4qtl PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4qtl RCSB], [http://www.ebi.ac.uk/pdbsum/4qtl PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4qtl 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=4qtl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qtl OCA], [http://pdbe.org/4qtl PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4qtl RCSB], [http://www.ebi.ac.uk/pdbsum/4qtl PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4qtl ProSAT]</span></td></tr>
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	</div>		</div>
	<div class="pdbe-citations 4qtl" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4qtl" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Carbonic anhydrase 3D structures\|Carbonic anhydrase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 27:		Line 31:
	</StructureSection>		</StructureSection>
	[[Category: Carbonate dehydratase]]		[[Category: Carbonate dehydratase]]
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Grazulis, S]]		[[Category: Grazulis, S]]
	[[Category: Manakova, E]]		[[Category: Manakova, E]]

OCA at 17:25, 18 January 2017

OCA — Wed, 18 Jan 2017 17:25:53 GMT

←Older revision		Revision as of 17:25, 18 January 2017
Line 1:		Line 1:
		+
	==Crystal structure of human carbonic anhydrase isozyme II with inhibitor==		==Crystal structure of human carbonic anhydrase isozyme II with inhibitor==
	<StructureSection load='4qtl' size='340' side='right' caption='[[4qtl]], [[Resolution\|resolution]] 1.80Å' scene=''>		<StructureSection load='4qtl' size='340' side='right' caption='[[4qtl]], [[Resolution\|resolution]] 1.80Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qiy\|4qiy]], [[4qiz\|4qiz]], [[4qj0\|4qj0]], [[4qjm\|4qjm]], [[4qjo\|4qjo]], [[4qjp\|4qjp]], [[4qjw\|4qjw]], [[4qjx\|4qjx]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qiy\|4qiy]], [[4qiz\|4qiz]], [[4qj0\|4qj0]], [[4qjm\|4qjm]], [[4qjo\|4qjo]], [[4qjp\|4qjp]], [[4qjw\|4qjw]], [[4qjx\|4qjx]]</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=4qtl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qtl OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4qtl RCSB], [http://www.ebi.ac.uk/pdbsum/4qtl 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=4qtl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qtl OCA], [http://pdbe.org/4qtl PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4qtl RCSB], [http://www.ebi.ac.uk/pdbsum/4qtl PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4qtl 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 4qtl" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 12:53, 15 April 2015

OCA — Wed, 15 Apr 2015 12:53:35 GMT

←Older revision		Revision as of 12:53, 15 April 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of human carbonic anhydrase isozyme II with inhibitor==
		+	<StructureSection load='4qtl' size='340' side='right' caption='[[4qtl]], [[Resolution\|resolution]] 1.80Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4qtl]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4QTL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4QTL FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=WWO:3-(BENZYLAMINO)-2,5,6-TRIFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>WWO</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">[[4qiy\|4qiy]], [[4qiz\|4qiz]], [[4qj0\|4qj0]], [[4qjm\|4qjm]], [[4qjo\|4qjo]], [[4qjp\|4qjp]], [[4qjw\|4qjw]], [[4qjx\|4qjx]]</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=4qtl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4qtl OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4qtl RCSB], [http://www.ebi.ac.uk/pdbsum/4qtl 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 ==
		+	Substituted tri- and tetrafluorobenzenesulfonamides were designed, synthesized, and evaluated as high-affinity and isoform-selective carbonic anhydrase (CA) inhibitors. Their binding affinities for recombinant human CA I, II, VA, VI, VII, XII, and XIII catalytic domains were determined by fluorescent thermal shift assay, isothermal titration calorimetry, and a stopped-flow CO2 hydration assay. Variation of the substituents at the 2-, 3-, and 4-positions yielded compounds with a broad range of binding affinities and isoform selectivities. Several 2,4-substituted-3,5,6-trifluorobenzenesulfonamides were effective CA XIII inhibitors with high selectivity over off-target CA I and CA II. 3,4-Disubstituted-2,5,6-trifluorobenzenesulfonamides bound CAs with higher affinity than 2,4-disubstituted-3,5,6-trifluorobenzenesulfonamides. Many such fluorinated benzenesulfonamides were found to be nanomolar inhibitors of CA II, CA VII, tumor-associated CA IX and CA XII, and CA XIII. X-ray crystal structures of inhibitors bound in the active sites of several CA isoforms provide structure-activity relationship information for inhibitor binding affinities and selectivity.

-	~~The entry 4qtl is ON HOLD until Paper Publication~~	+	Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases.,Dudutiene V, Zubriene A, Smirnov A, Timm DD, Smirnoviene J, Kazokaite J, Michailoviene V, Zaksauskas A, Manakova E, Grazulis S, Matulis D ChemMedChem. 2015 Apr;10(4):662-87. doi: 10.1002/cmdc.201402490. Epub 2015 Mar, 10. PMID:25758852<ref>PMID:25758852</ref>

-	~~Authors: Smirnov~~, A.~~, Manakova, E., Grazulis,~~ S.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal structure of human carbonic anhydrase isozyme II with inhibitor~~	+	== References ==
-	[[Category: ~~Unreleased Structures~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Carbonate dehydratase]]
		+	[[Category: Grazulis, S]]
	[[Category: Manakova, E]]		[[Category: Manakova, E]]
-	[[Category: Grazulis, S]]
	[[Category: Smirnov, A]]		[[Category: Smirnov, A]]
		+	[[Category: Benzenesulfonamide]]
		+	[[Category: Carbonic anhydrase]]
		+	[[Category: Drug design]]
		+	[[Category: Lyase-lyase inhibitor complex]]
		+	[[Category: Metal-binding]]

OCA at 16:06, 24 December 2014

OCA — Wed, 24 Dec 2014 16:06:39 GMT

←Older revision		Revision as of 16:06, 24 December 2014
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	Description: Crystal structure of human carbonic anhydrase isozyme II with inhibitor		Description: Crystal structure of human carbonic anhydrase isozyme II with inhibitor
		+	[[Category: Unreleased Structures]]
		+	[[Category: Manakova, E]]
		+	[[Category: Grazulis, S]]
		+	[[Category: Smirnov, A]]

OCA at 04:07, 4 September 2014

OCA — Thu, 04 Sep 2014 04:07:47 GMT

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	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Smirnov, A., Manakova, E., Grazulis, S.		Authors: Smirnov, A., Manakova, E., Grazulis, S.

	Description: Crystal structure of human carbonic anhydrase isozyme II with inhibitor		Description: Crystal structure of human carbonic anhydrase isozyme II with inhibitor

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

OCA — Wed, 16 Jul 2014 09:49:15 GMT

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

←Older revision

Revision as of 09:49, 16 July 2014

OCA: New page: '''Unreleased structure''' The entry 4qtl is ON HOLD Authors: Smirnov, A., Manakova, E., Grazulis, S. Description: Crystal structure of human carbonic anhydrase isozyme II with inhibit...

OCA — Wed, 16 Jul 2014 09:49:14 GMT

New page: '''Unreleased structure''' The entry 4qtl is ON HOLD Authors: Smirnov, A., Manakova, E., Grazulis, S. Description: Crystal structure of human carbonic anhydrase isozyme II with inhibit...

New page

'''Unreleased structure'''

The entry 4qtl is ON HOLD

Authors: Smirnov, A., Manakova, E., Grazulis, S.

Description: Crystal structure of human carbonic anhydrase isozyme II with inhibitor