4pzh - Revision history

OCA at 17:24, 20 September 2023

OCA — Wed, 20 Sep 2023 17:24:56 GMT

←Older revision		Revision as of 17:24, 20 September 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4pzh]] 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=4PZH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4PZH FirstGlance]. <br>		<table><tr><td colspan='2'>[[4pzh]] 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=4PZH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4PZH FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BCN:BICINE'>BCN</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=V13:2,3,5,6-TETRAFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>V13</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]] 1.06Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BCN:BICINE'>BCN</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=V13:2,3,5,6-TETRAFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>V13</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=4pzh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pzh OCA], [https://pdbe.org/4pzh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4pzh RCSB], [https://www.ebi.ac.uk/pdbsum/4pzh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4pzh 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=4pzh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pzh OCA], [https://pdbe.org/4pzh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4pzh RCSB], [https://www.ebi.ac.uk/pdbsum/4pzh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4pzh ProSAT]</span></td></tr>
	</table>		</table>

OCA at 07:38, 8 February 2023

OCA — Wed, 08 Feb 2023 07:38:22 GMT

←Older revision		Revision as of 07:38, 8 February 2023
Line 1:		Line 1:

	==Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide==		==Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide==
-	<StructureSection load='4pzh' size='340' side='right' caption='[[4pzh]], [[Resolution\|resolution]] 1.06Å' scene=''>	+	<StructureSection load='4pzh' size='340' side='right'caption='[[4pzh]], [[Resolution\|resolution]] 1.06Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4pzh]] 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=4PZH OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4PZH FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4pzh]] 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=4PZH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4PZH FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BCN:BICINE'>BCN</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=V13:2,3,5,6-TETRAFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>V13</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=BCN:BICINE'>BCN</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=V13:2,3,5,6-TETRAFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>V13</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">[[4pyx\|4pyx]], [[4pyy\|4pyy]], [[4q06\|4q06]], [[4q07\|4q07]], [[4q08\|4q08]], [[4q09\|4q09]], [[4q0l\|4q0l]]</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=4pzh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pzh OCA], [https://pdbe.org/4pzh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4pzh RCSB], [https://www.ebi.ac.uk/pdbsum/4pzh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4pzh 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=4pzh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pzh OCA], [~~http~~://pdbe.org/4pzh PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4pzh RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4pzh PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4pzh 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 25:		Line 22:

	==See Also==		==See Also==
-	*[[Carbonic anhydrase\|Carbonic anhydrase]]	+	*[[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: 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 05:54, 8 March 2018

OCA — Thu, 08 Mar 2018 05:54:18 GMT

←Older revision		Revision as of 05:54, 8 March 2018
Line 3:		Line 3:
	<StructureSection load='4pzh' size='340' side='right' caption='[[4pzh]], [[Resolution\|resolution]] 1.06Å' scene=''>		<StructureSection load='4pzh' size='340' side='right' caption='[[4pzh]], [[Resolution\|resolution]] 1.06Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4pzh]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PZH OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PZH FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4pzh]] 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=4PZH OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PZH FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BCN:BICINE'>BCN</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=V13:2,3,5,6-TETRAFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>V13</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=BCN:BICINE'>BCN</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=V13:2,3,5,6-TETRAFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>V13</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">[[4pyx\|4pyx]], [[4pyy\|4pyy]], [[4q06\|4q06]], [[4q07\|4q07]], [[4q08\|4q08]], [[4q09\|4q09]], [[4q0l\|4q0l]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pyx\|4pyx]], [[4pyy\|4pyy]], [[4q06\|4q06]], [[4q07\|4q07]], [[4q08\|4q08]], [[4q09\|4q09]], [[4q0l\|4q0l]]</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=4pzh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pzh OCA], [http://pdbe.org/4pzh PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4pzh RCSB], [http://www.ebi.ac.uk/pdbsum/4pzh PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4pzh 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=4pzh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pzh OCA], [http://pdbe.org/4pzh PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4pzh RCSB], [http://www.ebi.ac.uk/pdbsum/4pzh PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4pzh ProSAT]</span></td></tr>
Line 30:		Line 31:
	</StructureSection>		</StructureSection>
	[[Category: Carbonate dehydratase]]		[[Category: Carbonate dehydratase]]
		+	[[Category: Human]]
	[[Category: Grazulis, S]]		[[Category: Grazulis, S]]
	[[Category: Manakova, E]]		[[Category: Manakova, E]]

OCA at 14:25, 11 August 2016

OCA — Thu, 11 Aug 2016 14:25:37 GMT

←Older revision		Revision as of 14:25, 11 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide==		==Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide==
	<StructureSection load='4pzh' size='340' side='right' caption='[[4pzh]], [[Resolution\|resolution]] 1.06Å' scene=''>		<StructureSection load='4pzh' size='340' side='right' caption='[[4pzh]], [[Resolution\|resolution]] 1.06Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pyx\|4pyx]], [[4pyy\|4pyy]], [[4q06\|4q06]], [[4q07\|4q07]], [[4q08\|4q08]], [[4q09\|4q09]], [[4q0l\|4q0l]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4pyx\|4pyx]], [[4pyy\|4pyy]], [[4q06\|4q06]], [[4q07\|4q07]], [[4q08\|4q08]], [[4q09\|4q09]], [[4q0l\|4q0l]]</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=4pzh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pzh OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4pzh RCSB], [http://www.ebi.ac.uk/pdbsum/4pzh 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=4pzh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pzh OCA], [http://pdbe.org/4pzh PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4pzh RCSB], [http://www.ebi.ac.uk/pdbsum/4pzh PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4pzh 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 4pzh" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Carbonic anhydrase\|Carbonic anhydrase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 16:35, 28 January 2015

OCA — Wed, 28 Jan 2015 16:35:42 GMT

←Older revision		Revision as of 16:35, 28 January 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide==
		+	<StructureSection load='4pzh' size='340' side='right' caption='[[4pzh]], [[Resolution\|resolution]] 1.06Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4pzh]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4PZH OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4PZH FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BCN:BICINE'>BCN</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=V13:2,3,5,6-TETRAFLUORO-4-[(2-HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE'>V13</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">[[4pyx\|4pyx]], [[4pyy\|4pyy]], [[4q06\|4q06]], [[4q07\|4q07]], [[4q08\|4q08]], [[4q09\|4q09]], [[4q0l\|4q0l]]</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=4pzh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4pzh OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4pzh RCSB], [http://www.ebi.ac.uk/pdbsum/4pzh 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 ==
		+	Human carbonic anhydrase IX (CA IX) is highly expressed in tumor tissues, and its selective inhibition provides a potential target for the treatment of numerous cancers. Development of potent, highly selective inhibitors against this target remains an unmet need in anticancer therapeutics. A series of fluorinated benzenesulfonamides with substituents on the benzene ring was designed and synthesized. Several of these exhibited a highly potent and selective inhibition profile against CA IX. Three fluorine atoms significantly increased the affinity by withdrawing electrons and lowering the pKa of the benzenesulfonamide group. The bulky ortho substituents, such as cyclooctyl or even cyclododecyl groups, fit into the hydrophobic pocket in the active site of CA IX but not CA II, as shown by the compound's co-crystal structure with chimeric CA IX. The strongest inhibitor of recombinant human CA IX's catalytic domain in human cells achieved an affinity of 50 pM. However, the high affinity diminished the selectivity. The most selective compound for CA IX exhibited 10 nM affinity. The compound that showed the best balance between affinity and selectivity bound with 1 nM affinity. The inhibitors described in this work provide the basis for novel anticancer therapeutics targeting CA IX.

-	~~The entry 4pzh is ON HOLD until Paper Publication~~	+	Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.,Dudutiene V, Matuliene J, Smirnov A, Timm DD, Zubriene A, Baranauskiene L, Morkunaite V, Smirnoviene J, Michailoviene V, Juozapaitiene V, Mickeviciute A, Kazokaite J, Baksyte S, Kasiliauskaite A, Jachno J, Revuckiene J, Kisonaite M, Pilipuityte V, Ivanauskaite E, Milinaviciute G, Smirnovas V, Petrikaite V, Kairys V, Petrauskas V, Norvaisas P, Linge D, Gibieza P, Capkauskaite E, Zaksauskas A, Kazlauskas E, Manakova E, Grazulis S, Ladbury JE, Matulis D J Med Chem. 2014 Nov 26;57(22):9435-46. doi: 10.1021/jm501003k. Epub 2014 Nov 10. PMID:25358084<ref>PMID:25358084</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 2,3,5,6-tetrafluoro-4~~[~~(2-hydroxyethyl)sulfonyl~~]~~benzenesulfonamide~~	+	== 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 15:20, 24 December 2014

OCA — Wed, 24 Dec 2014 15:20:40 GMT

←Older revision		Revision as of 15:20, 24 December 2014
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	Description: Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide		Description: Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
		+	[[Category: Unreleased Structures]]
		+	[[Category: Manakova, E]]
		+	[[Category: Grazulis, S]]
		+	[[Category: Smirnov, A]]

OCA at 07:28, 23 April 2014

OCA — Wed, 23 Apr 2014 07:28:02 GMT

←Older revision		Revision as of 07:28, 23 April 2014
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4pzh is ON HOLD	+	The entry 4pzh 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 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide		Description: Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide

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

OCA — Wed, 09 Apr 2014 05:59:02 GMT

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

←Older revision

Revision as of 05:59, 9 April 2014

OCA: New page: '''Unreleased structure''' The entry 4pzh is ON HOLD Authors: Smirnov, A., Manakova, E., Grazulis, S. Description: Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6...

OCA — Wed, 09 Apr 2014 05:59:01 GMT

New page: '''Unreleased structure''' The entry 4pzh is ON HOLD Authors: Smirnov, A., Manakova, E., Grazulis, S. Description: Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6...

New page

'''Unreleased structure'''

The entry 4pzh is ON HOLD

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

Description: Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide