4r5a - Revision history

OCA at 17:44, 20 September 2023

2023-09-20T17:44:25Z

←Older revision		Revision as of 17:44, 20 September 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4r5a]] 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=4R5A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4R5A FirstGlance]. <br>		<table><tr><td colspan='2'>[[4r5a]] 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=4R5A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4R5A FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3J4:(6S)-2,6-ANHYDRO-6-{[(3R)-3-(SULFAMOYLOXY)PYRROLIDIN-1-YL]SULFONYL}-D-GLUCITOL'>3J4</scene>, <scene name='pdbligand=ALY:N(6)-ACETYLLYSINE'>ALY</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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]] 1.64Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3J4:(6S)-2,6-ANHYDRO-6-{[(3R)-3-(SULFAMOYLOXY)PYRROLIDIN-1-YL]SULFONYL}-D-GLUCITOL'>3J4</scene>, <scene name='pdbligand=ALY:N(6)-ACETYLLYSINE'>ALY</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=4r5a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r5a OCA], [https://pdbe.org/4r5a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4r5a RCSB], [https://www.ebi.ac.uk/pdbsum/4r5a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4r5a 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=4r5a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r5a OCA], [https://pdbe.org/4r5a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4r5a RCSB], [https://www.ebi.ac.uk/pdbsum/4r5a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4r5a ProSAT]</span></td></tr>
	</table>		</table>

OCA at 06:41, 2 March 2023

2023-03-02T06:41:01Z

←Older revision		Revision as of 06:41, 2 March 2023
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	<StructureSection load='4r5a' size='340' side='right'caption='[[4r5a]], [[Resolution\|resolution]] 1.64Å' scene=''>		<StructureSection load='4r5a' size='340' side='right'caption='[[4r5a]], [[Resolution\|resolution]] 1.64Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4r5a]] 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=4R5A OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4R5A FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4r5a]] 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=4R5A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4R5A FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3J4:(6S)-2,6-ANHYDRO-6-{[(3R)-3-(SULFAMOYLOXY)PYRROLIDIN-1-YL]SULFONYL}-D-GLUCITOL'>3J4</scene>, <scene name='pdbligand=~~GOL~~:~~GLYCEROL~~'>~~GOL~~</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=3J4:(6S)-2,6-ANHYDRO-6-{[(3R)-3-(SULFAMOYLOXY)PYRROLIDIN-1-YL]SULFONYL}-D-GLUCITOL'>3J4</scene>, <scene name='pdbligand=ALY:N(6)-ACETYLLYSINE'>ALY</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	~~<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=~~ALY~~:~~N(6)-ACETYLLYSINE~~'>~~ALY~~</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=4r5a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r5a OCA], [https://pdbe.org/4r5a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4r5a RCSB], [https://www.ebi.ac.uk/pdbsum/4r5a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4r5a ProSAT]</span></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4r59\|4r59]], [[4r5b\|4r5b]]</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=4r5a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r5a OCA], [~~http~~://pdbe.org/4r5a PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4r5a RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4r5a PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4r5a 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 31:		Line 27:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Carbonate dehydratase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Mahon~~, B P~~]]	+	[[Category: Mahon BP]]
-	[[Category: McKenna, R]]	+	[[Category: McKenna R]]
-	~~[[Category: Carbonic anhydrase ix mimic]]~~	+
-	~~[[Category: Lyase~~]]	+

OCA at 09:45, 1 May 2019

2019-05-01T09:45:29Z

←Older revision		Revision as of 09:45, 1 May 2019
Line 1:		Line 1:

	==A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate==		==A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate==
-	<StructureSection load='4r5a' size='340' side='right' caption='[[4r5a]], [[Resolution\|resolution]] 1.64Å' scene=''>	+	<StructureSection load='4r5a' size='340' side='right'caption='[[4r5a]], [[Resolution\|resolution]] 1.64Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4r5a]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4R5A OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4R5A FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4r5a]] 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=4R5A OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4R5A FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3J4:(6S)-2,6-ANHYDRO-6-{[(3R)-3-(SULFAMOYLOXY)PYRROLIDIN-1-YL]SULFONYL}-D-GLUCITOL'>3J4</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=3J4:(6S)-2,6-ANHYDRO-6-{[(3R)-3-(SULFAMOYLOXY)PYRROLIDIN-1-YL]SULFONYL}-D-GLUCITOL'>3J4</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ALY:N(6)-ACETYLLYSINE'>ALY</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ALY:N(6)-ACETYLLYSINE'>ALY</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4r59\|4r59]], [[4r5b\|4r5b]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4r59\|4r59]], [[4r5b\|4r5b]]</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=4r5a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r5a OCA], [http://pdbe.org/4r5a PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4r5a RCSB], [http://www.ebi.ac.uk/pdbsum/4r5a PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4r5a 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=4r5a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r5a OCA], [http://pdbe.org/4r5a PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4r5a RCSB], [http://www.ebi.ac.uk/pdbsum/4r5a PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4r5a ProSAT]</span></td></tr>
Line 25:		Line 26:

	==See Also==		==See Also==
-	*[[Carbonic anhydrase\|Carbonic anhydrase]]	+	*[[Carbonic anhydrase 3D structures\|Carbonic anhydrase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 31:		Line 32:
	</StructureSection>		</StructureSection>
	[[Category: Carbonate dehydratase]]		[[Category: Carbonate dehydratase]]
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Mahon, B P]]		[[Category: Mahon, B P]]
	[[Category: McKenna, R]]		[[Category: McKenna, R]]
	[[Category: Carbonic anhydrase ix mimic]]		[[Category: Carbonic anhydrase ix mimic]]
	[[Category: Lyase]]		[[Category: Lyase]]

OCA at 14:17, 11 August 2016

2016-08-11T14:17:34Z

←Older revision		Revision as of 14:17, 11 August 2016
Line 1:		Line 1:
		+
	==A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate==		==A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate==
	<StructureSection load='4r5a' size='340' side='right' caption='[[4r5a]], [[Resolution\|resolution]] 1.64Å' scene=''>		<StructureSection load='4r5a' size='340' side='right' caption='[[4r5a]], [[Resolution\|resolution]] 1.64Å' scene=''>
Line 7:		Line 8:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4r59\|4r59]], [[4r5b\|4r5b]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4r59\|4r59]], [[4r5b\|4r5b]]</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=4r5a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r5a OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4r5a RCSB], [http://www.ebi.ac.uk/pdbsum/4r5a 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=4r5a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r5a OCA], [http://pdbe.org/4r5a PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4r5a RCSB], [http://www.ebi.ac.uk/pdbsum/4r5a PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4r5a ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
Line 21:		Line 22:
	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 4r5a" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Carbonic anhydrase\|Carbonic anhydrase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 07:47, 12 November 2014

2014-11-12T07:47:17Z

←Older revision		Revision as of 07:47, 12 November 2014
Line 26:		Line 26:
	</StructureSection>		</StructureSection>
	[[Category: Carbonate dehydratase]]		[[Category: Carbonate dehydratase]]
-	[[Category: Mahon, B P.]]	+	[[Category: Mahon, B P]]
-	[[Category: McKenna, R.]]	+	[[Category: McKenna, R]]
	[[Category: Carbonic anhydrase ix mimic]]		[[Category: Carbonic anhydrase ix mimic]]
	[[Category: Lyase]]		[[Category: Lyase]]

OCA at 10:43, 20 October 2014

2014-10-20T10:43:33Z

←Older revision		Revision as of 10:43, 20 October 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate==
		+	<StructureSection load='4r5a' size='340' side='right' caption='[[4r5a]], [[Resolution\|resolution]] 1.64Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4r5a]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4R5A OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4R5A FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3J4:(6S)-2,6-ANHYDRO-6-{[(3R)-3-(SULFAMOYLOXY)PYRROLIDIN-1-YL]SULFONYL}-D-GLUCITOL'>3J4</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ALY:N(6)-ACETYLLYSINE'>ALY</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4r59\|4r59]], [[4r5b\|4r5b]]</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=4r5a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r5a OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4r5a RCSB], [http://www.ebi.ac.uk/pdbsum/4r5a 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 ==
		+	Carbonic anhydrase IX (CA IX) is an extracellular transmembrane homodimeric zinc metalloenzyme that has been validated as a prognostic marker and therapeutic target for several types of aggressive cancers. CA IX shares a close homology with other CA isoforms, making the design of CA IX isoform selective inhibitors challenging. In this paper, we describe the development of a new class of CA IX inhibitors that comprise a sulfamate as the zinc binding group, a variable linker, and a carbohydrate "tail" moiety. Seven compounds inhibited CA IX with low nM Ki values of 1-2 nM and also exhibited permeability profiles to preferentially target the binding of extracellular CA IX over cytosolic CAs. The crystal structures of two of these compounds in complex with a CA IX-mimic (a variant of CA II, with active site residues that mimic CA IX) and one compound in complex with CA II have been determined to 1.7 A resolution or better and demonstrate a selective mechanism of binding between the hydrophilic and hydrophobic pockets of CA IX versus CA II. These compounds present promising candidates for anti-CA IX drugs and the treatment for several aggressive cancer types.

-	~~The entry 4r5a is ON HOLD until sometime in the future~~	+	Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates.,Moeker J, Mahon BP, Bornaghi LF, Vullo D, Supuran CT, McKenna R, Poulsen SA J Med Chem. 2014 Oct 8. PMID:25254302<ref>PMID:25254302</ref>

-	~~Authors~~: Mahon, B.P., McKenna, R.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: A Carbonic ~~Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Carbonate dehydratase]]
		+	[[Category: Mahon, B P.]]
		+	[[Category: McKenna, R.]]
		+	[[Category: Carbonic anhydrase ix mimic]]
		+	[[Category: Lyase]]

OCA at 06:27, 8 October 2014

2014-10-08T06:27:34Z

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-	The entry 4r5a is ON HOLD	+	The entry 4r5a is ON HOLD until sometime in the future

	Authors: Mahon, B.P., McKenna, R.		Authors: Mahon, B.P., McKenna, R.

	Description: A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate		Description: A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate

OCA at 04:14, 4 September 2014

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-	Authors: ~~Brian~~ P. ~~Mahon~~, ~~Robert~~ McKenna	+	Authors: Mahon, B.P., McKenna, R.

	Description: A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate		Description: A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate

OCA: Protected "4r5a" [edit=sysop:move=sysop]

2014-08-27T07:02:09Z

Protected "4r5a" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:02, 27 August 2014

OCA: New page: '''Unreleased structure''' The entry 4r5a is ON HOLD Authors: Brian P. Mahon, Robert McKenna Description: A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate

2014-08-27T07:02:08Z

New page: '''Unreleased structure''' The entry 4r5a is ON HOLD Authors: Brian P. Mahon, Robert McKenna Description: A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate

New page

'''Unreleased structure'''

The entry 4r5a is ON HOLD

Authors: Brian P. Mahon, Robert McKenna

Description: A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate