4q7w - Revision history

OCA at 17:29, 20 September 2023

OCA — Wed, 20 Sep 2023 17:29:20 GMT

←Older revision		Revision as of 17:29, 20 September 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4q7w]] 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=4Q7W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4Q7W FirstGlance]. <br>		<table><tr><td colspan='2'>[[4q7w]] 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=4Q7W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4Q7W FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6MH:1-HYDROXY-6-METHYLPYRIDINE-2(1H)-THIONE'>6MH</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MBO:MERCURIBENZOIC+ACID'>MBO</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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]] 1.45Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6MH:1-HYDROXY-6-METHYLPYRIDINE-2(1H)-THIONE'>6MH</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MBO:MERCURIBENZOIC+ACID'>MBO</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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=4q7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4q7w OCA], [https://pdbe.org/4q7w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4q7w RCSB], [https://www.ebi.ac.uk/pdbsum/4q7w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4q7w 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=4q7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4q7w OCA], [https://pdbe.org/4q7w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4q7w RCSB], [https://www.ebi.ac.uk/pdbsum/4q7w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4q7w ProSAT]</span></td></tr>
	</table>		</table>

OCA at 07:47, 8 February 2023

OCA — Wed, 08 Feb 2023 07:47:40 GMT

←Older revision		Revision as of 07:47, 8 February 2023
Line 3:		Line 3:
	<StructureSection load='4q7w' size='340' side='right'caption='[[4q7w]], [[Resolution\|resolution]] 1.45Å' scene=''>		<StructureSection load='4q7w' size='340' side='right'caption='[[4q7w]], [[Resolution\|resolution]] 1.45Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4q7w]] 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=4Q7W OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4Q7W FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4q7w]] 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=4Q7W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4Q7W FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6MH:1-HYDROXY-6-METHYLPYRIDINE-2(1H)-THIONE'>6MH</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MBO:MERCURIBENZOIC+ACID'>MBO</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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=6MH:1-HYDROXY-6-METHYLPYRIDINE-2(1H)-THIONE'>6MH</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MBO:MERCURIBENZOIC+ACID'>MBO</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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">[[4q7p\|4q7p]], [[4q7s\|4q7s]], [[4q7v\|4q7v]], [[4q81\|4q81]], [[4q83\|4q83]], [[4q87\|4q87]], [[4q8x\|4q8x]], [[4q8y\|4q8y]], [[4q8z\|4q8z]], [[4q90\|4q90]], [[4q99\|4q99]], [[4q9y\|4q9y]], [[4mlt\|4mlt]], [[3m1k\|3m1k]]</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=4q7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4q7w OCA], [https://pdbe.org/4q7w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4q7w RCSB], [https://www.ebi.ac.uk/pdbsum/4q7w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4q7w 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=4q7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4q7w OCA], [~~http~~://pdbe.org/4q7w PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4q7w RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4q7w PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4q7w 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: Cohen~~, S M~~]]	+	[[Category: Cohen SM]]
-	[[Category: Martin~~, D P]]~~	+	[[Category: Martin DP]]
-	~~[[Category: Lyase~~]]	+

OCA at 09:05, 24 April 2019

OCA — Wed, 24 Apr 2019 09:05:20 GMT

←Older revision		Revision as of 09:05, 24 April 2019
Line 1:		Line 1:

	==Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II==		==Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II==
-	<StructureSection load='4q7w' size='340' side='right' caption='[[4q7w]], [[Resolution\|resolution]] 1.45Å' scene=''>	+	<StructureSection load='4q7w' size='340' side='right'caption='[[4q7w]], [[Resolution\|resolution]] 1.45Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4q7w]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4Q7W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4Q7W FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4q7w]] 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=4Q7W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4Q7W FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6MH:1-HYDROXY-6-METHYLPYRIDINE-2(1H)-THIONE'>6MH</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MBO:MERCURIBENZOIC+ACID'>MBO</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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=6MH:1-HYDROXY-6-METHYLPYRIDINE-2(1H)-THIONE'>6MH</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MBO:MERCURIBENZOIC+ACID'>MBO</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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">[[4q7p\|4q7p]], [[4q7s\|4q7s]], [[4q7v\|4q7v]], [[4q81\|4q81]], [[4q83\|4q83]], [[4q87\|4q87]], [[4q8x\|4q8x]], [[4q8y\|4q8y]], [[4q8z\|4q8z]], [[4q90\|4q90]], [[4q99\|4q99]], [[4q9y\|4q9y]], [[4mlt\|4mlt]], [[3m1k\|3m1k]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4q7p\|4q7p]], [[4q7s\|4q7s]], [[4q7v\|4q7v]], [[4q81\|4q81]], [[4q83\|4q83]], [[4q87\|4q87]], [[4q8x\|4q8x]], [[4q8y\|4q8y]], [[4q8z\|4q8z]], [[4q90\|4q90]], [[4q99\|4q99]], [[4q9y\|4q9y]], [[4mlt\|4mlt]], [[3m1k\|3m1k]]</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=4q7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4q7w OCA], [http://pdbe.org/4q7w PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4q7w RCSB], [http://www.ebi.ac.uk/pdbsum/4q7w PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4q7w 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=4q7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4q7w OCA], [http://pdbe.org/4q7w PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4q7w RCSB], [http://www.ebi.ac.uk/pdbsum/4q7w PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4q7w ProSAT]</span></td></tr>
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	</div>		</div>
	<div class="pdbe-citations 4q7w" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4q7w" 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: Cohen, S M]]		[[Category: Cohen, S M]]
	[[Category: Martin, D P]]		[[Category: Martin, D P]]
	[[Category: Lyase]]		[[Category: Lyase]]

OCA at 17:15, 4 January 2017

OCA — Wed, 04 Jan 2017 17:15:08 GMT

←Older revision		Revision as of 17:15, 4 January 2017
Line 1:		Line 1:
		+
	==Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II==		==Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II==
	<StructureSection load='4q7w' size='340' side='right' caption='[[4q7w]], [[Resolution\|resolution]] 1.45Å' scene=''>		<StructureSection load='4q7w' size='340' side='right' caption='[[4q7w]], [[Resolution\|resolution]] 1.45Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4q7p\|4q7p]], [[4q7s\|4q7s]], [[4q7v\|4q7v]], [[4q81\|4q81]], [[4q83\|4q83]], [[4q87\|4q87]], [[4q8x\|4q8x]], [[4q8y\|4q8y]], [[4q8z\|4q8z]], [[4q90\|4q90]], [[4q99\|4q99]], [[4q9y\|4q9y]], [[4mlt\|4mlt]], [[3m1k\|3m1k]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4q7p\|4q7p]], [[4q7s\|4q7s]], [[4q7v\|4q7v]], [[4q81\|4q81]], [[4q83\|4q83]], [[4q87\|4q87]], [[4q8x\|4q8x]], [[4q8y\|4q8y]], [[4q8z\|4q8z]], [[4q90\|4q90]], [[4q99\|4q99]], [[4q9y\|4q9y]], [[4mlt\|4mlt]], [[3m1k\|3m1k]]</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=4q7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4q7w OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4q7w RCSB], [http://www.ebi.ac.uk/pdbsum/4q7w 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=4q7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4q7w OCA], [http://pdbe.org/4q7w PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4q7w RCSB], [http://www.ebi.ac.uk/pdbsum/4q7w PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4q7w 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 4q7w" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 11:50, 11 March 2015

OCA — Wed, 11 Mar 2015 11:50:19 GMT

←Older revision		Revision as of 11:50, 11 March 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II==
		+	<StructureSection load='4q7w' size='340' side='right' caption='[[4q7w]], [[Resolution\|resolution]] 1.45Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4q7w]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4Q7W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4Q7W FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6MH:1-HYDROXY-6-METHYLPYRIDINE-2(1H)-THIONE'>6MH</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MBO:MERCURIBENZOIC+ACID'>MBO</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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">[[4q7p\|4q7p]], [[4q7s\|4q7s]], [[4q7v\|4q7v]], [[4q81\|4q81]], [[4q83\|4q83]], [[4q87\|4q87]], [[4q8x\|4q8x]], [[4q8y\|4q8y]], [[4q8z\|4q8z]], [[4q90\|4q90]], [[4q99\|4q99]], [[4q9y\|4q9y]], [[4mlt\|4mlt]], [[3m1k\|3m1k]]</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=4q7w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4q7w OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4q7w RCSB], [http://www.ebi.ac.uk/pdbsum/4q7w 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 ==
		+	The binding of a series of metal-binding pharmacophores (MBPs) related to the ligand 1-hydroxypyridine-2-(1H)-thione (1,2-HOPTO) in the active site of human carbonic anhydrase II (hCAII) has been investigated. The presence and/or position of a single methyl substituent drastically alters inhibitor potency and can result in coordination modes not observed in small-molecule model complexes. It is shown that this unexpected binding mode is the result of a steric clash between the methyl group and a highly ordered water network in the active site that is further stabilized by the formation of a hydrogen bond and favorable hydrophobic contacts. The affinity of MBPs is dependent on a large number of factors including donor atom identity, orientation, electrostatics, and van der Waals interactions. These results suggest that metal coordination by metalloenzyme inhibitors is a malleable interaction and that it is thus more appropriate to consider the metal-binding motif of these inhibitors as a pharmacophore rather than a "chelator". The rational design of inhibitors targeting metalloenzymes will benefit greatly from a deeper understanding of the interplay between the variety of forces governing the binding of MBPs to active site metal ions.

-	~~The entry 4q7w is ON HOLD until Paper Publication~~	+	Exploring the influence of the protein environment on metal-binding pharmacophores.,Martin DP, Blachly PG, McCammon JA, Cohen SM J Med Chem. 2014 Aug 28;57(16):7126-35. doi: 10.1021/jm500984b. Epub 2014 Aug 19. PMID:25116076<ref>PMID:25116076</ref>

-	~~Authors: Martin~~, D.~~P., Cohen,~~ S.M.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description: Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II~~	+	== References ==
-	[[Category: ~~Unreleased Structures~~]]	+	<references/>
-	[[Category: Cohen, S.M]]	+	__TOC__
-	[[Category: Martin, D.P]]	+	</StructureSection>
		+	[[Category: Carbonate dehydratase]]
		+	[[Category: Cohen, S M]]
		+	[[Category: Martin, D P]]
		+	[[Category: Lyase]]

OCA at 15:28, 24 December 2014

OCA — Wed, 24 Dec 2014 15:28:25 GMT

←Older revision		Revision as of 15:28, 24 December 2014
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	Description: Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II		Description: Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II
		+	[[Category: Unreleased Structures]]
		+	[[Category: Cohen, S.M]]
		+	[[Category: Martin, D.P]]

OCA at 07:17, 2 July 2014

OCA — Wed, 02 Jul 2014 07:17:55 GMT

←Older revision		Revision as of 07:17, 2 July 2014
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4q7w is ON HOLD	+	The entry 4q7w is ON HOLD until Paper Publication

	Authors: Martin, D.P., Cohen, S.M.		Authors: Martin, D.P., Cohen, S.M.

	Description: Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II		Description: Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II

OCA: Protected "4q7w" [edit=sysop:move=sysop]

OCA — Wed, 07 May 2014 07:50:07 GMT

Protected "4q7w" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:50, 7 May 2014

OCA: New page: '''Unreleased structure''' The entry 4q7w is ON HOLD Authors: Martin, D.P., Cohen, S.M. Description: Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carboni...

OCA — Wed, 07 May 2014 07:50:06 GMT

New page: '''Unreleased structure''' The entry 4q7w is ON HOLD Authors: Martin, D.P., Cohen, S.M. Description: Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carboni...

New page

'''Unreleased structure'''

The entry 4q7w is ON HOLD

Authors: Martin, D.P., Cohen, S.M.

Description: Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II