5g0c - Revision history

OCA at 13:34, 26 July 2023

2023-07-26T13:34:17Z

←Older revision		Revision as of 13:34, 26 July 2023
Line 3:		Line 3:
	<StructureSection load='5g0c' size='340' side='right'caption='[[5g0c]], [[Resolution\|resolution]] 1.28Å' scene=''>		<StructureSection load='5g0c' size='340' side='right'caption='[[5g0c]], [[Resolution\|resolution]] 1.28Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5g0c]] 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=5G0C OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5G0C FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5g0c]] 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=5G0C OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5G0C FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EOH:ETHANOL'>EOH</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 1.28Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5g01\|5g01]], [[5g03\|5g03]], [[5g0b\|5g0b]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EOH:ETHANOL'>EOH</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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'>[https://proteopedia.org/fgij/fg.htm?mol=5g0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5g0c OCA], [https://pdbe.org/5g0c PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5g0c RCSB], [https://www.ebi.ac.uk/pdbsum/5g0c PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5g0c 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=5g0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5g0c OCA], [~~http~~://pdbe.org/5g0c PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5g0c RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5g0c PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5g0c 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 29:		Line 28:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Carbonate dehydratase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Mujumdar, P]]	+	[[Category: Mujumdar P]]
-	[[Category: Peat~~, T S~~]]	+	[[Category: Peat TS]]
-	[[Category: Poulsen~~, S A~~]]	+	[[Category: Poulsen SA]]
-	[[Category: Supuran~~, C T]]~~	+	[[Category: Supuran CT]]
-	~~[[Category: Carbonic anhydrase]]~~	+
-	~~[[Category: Lyase]]~~	+
-	~~[[Category: Natural product inhibitor]]~~	+
-	~~[[Category: Protein engineering~~]]	+

OCA at 13:01, 10 May 2019

2019-05-10T13:01:47Z

←Older revision		Revision as of 13:01, 10 May 2019
Line 1:		Line 1:

	==An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C==		==An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C==
-	<StructureSection load='5g0c' size='340' side='right' caption='[[5g0c]], [[Resolution\|resolution]] 1.28Å' scene=''>	+	<StructureSection load='5g0c' size='340' side='right'caption='[[5g0c]], [[Resolution\|resolution]] 1.28Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5g0c]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5G0C OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5G0C FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5g0c]] 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=5G0C OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5G0C FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EOH:ETHANOL'>EOH</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=EOH:ETHANOL'>EOH</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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">[[5g01\|5g01]], [[5g03\|5g03]], [[5g0b\|5g0b]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5g01\|5g01]], [[5g03\|5g03]], [[5g0b\|5g0b]]</td></tr>
Line 22:		Line 22:
	</div>		</div>
	<div class="pdbe-citations 5g0c" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5g0c" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Carbonic anhydrase 3D structures\|Carbonic anhydrase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 27:		Line 30:
	</StructureSection>		</StructureSection>
	[[Category: Carbonate dehydratase]]		[[Category: Carbonate dehydratase]]
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Mujumdar, P]]		[[Category: Mujumdar, P]]
	[[Category: Peat, T S]]		[[Category: Peat, T S]]

OCA at 02:37, 13 July 2016

2016-07-13T02:37:03Z

←Older revision		Revision as of 02:37, 13 July 2016
Line 7:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5g01\|5g01]], [[5g03\|5g03]], [[5g0b\|5g0b]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5g01\|5g01]], [[5g03\|5g03]], [[5g0b\|5g0b]]</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=5g0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5g0c OCA], [http://pdbe.org/5g0c PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5g0c RCSB], [http://www.ebi.ac.uk/pdbsum/5g0c 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=5g0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5g0c OCA], [http://pdbe.org/5g0c PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5g0c RCSB], [http://www.ebi.ac.uk/pdbsum/5g0c PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5g0c ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==

OCA at 22:58, 1 June 2016

2016-06-01T22:58:40Z

←Older revision		Revision as of 22:58, 1 June 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5g0c is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C==
		+	<StructureSection load='5g0c' size='340' side='right' caption='[[5g0c]], [[Resolution\|resolution]] 1.28Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5g0c]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5G0C OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5G0C FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EOH:ETHANOL'>EOH</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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">[[5g01\|5g01]], [[5g03\|5g03]], [[5g0b\|5g0b]]</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=5g0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5g0c OCA], [http://pdbe.org/5g0c PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5g0c RCSB], [http://www.ebi.ac.uk/pdbsum/5g0c 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 ==
		+	Psammaplin C is one of only two described natural product primary sulfonamides. Here we report the synthesis of psammaplin C and evaluate the inhibition profile against therapeutically relevant carbonic anhydrase (CA) zinc metalloenzymes. The compound exhibited unprecedented inhibition of an important cancer-associated isozyme, hCA XII, with a Ki of 0.79 nM. The compound also displayed good isoform selectivity for hCA XII over other CAs. We present the first reported protein X-ray crystal structures of psammaplin C in complex with human CAs. We engineered the easily crystallized hCA II enzyme to mimic both the hCA IX and hCA XII binding sites and then utilized protein X-ray crystallography to determine the binding pose of psammaplin C within the hCA II, hCA IX, and hCA XII mimic active sites, all to high resolution. This is the first time a natural product primary sulfonamide inhibitor has been assessed for inhibition and binding to CAs.

-	~~Authors~~: ~~Mujumdar~~, ~~P., Supuran~~, C.T., ~~Peat~~, ~~T.S.~~, ~~Poulsen~~, S.A.	+	An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition, and Protein X-ray Structures of Psammaplin C.,Mujumdar P, Teruya K, Tonissen KF, Vullo D, Supuran CT, Peat TS, Poulsen SA J Med Chem. 2016 May 23. PMID:27172398<ref>PMID:27172398</ref>

-	~~Description: An unusual natural product primary sulfonamide: synthesis~~, ~~carbonic anhydrase inhibition and protein x-ray structure~~ of ~~Psammaplin C~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category: Unreleased Structures]]~~	+	</div>
-	~~[[Category: Poulsen,~~ S.~~A]]~~	+	<div class="pdbe-citations 5g0c" style="background-color:#fffaf0;"></div>
-	~~[[Category~~: ~~Peat, T.S]]~~	+	== References ==
-	[[Category: ~~Supuran, C.T~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Carbonate dehydratase]]
	[[Category: Mujumdar, P]]		[[Category: Mujumdar, P]]
		+	[[Category: Peat, T S]]
		+	[[Category: Poulsen, S A]]
		+	[[Category: Supuran, C T]]
		+	[[Category: Carbonic anhydrase]]
		+	[[Category: Lyase]]
		+	[[Category: Natural product inhibitor]]
		+	[[Category: Protein engineering]]

OCA: Protected "5g0c" [edit=sysop:move=sysop]

2016-05-10T23:18:18Z

Protected "5g0c" [edit=sysop:move=sysop]

←Older revision

Revision as of 23:18, 10 May 2016

OCA: New page: '''Unreleased structure''' The entry 5g0c is ON HOLD until Paper Publication Authors: Mujumdar, P., Supuran, C.T., Peat, T.S., Poulsen, S.A. Description: An unusual natural product pri...

2016-05-10T23:18:17Z

New page: '''Unreleased structure''' The entry 5g0c is ON HOLD until Paper Publication Authors: Mujumdar, P., Supuran, C.T., Peat, T.S., Poulsen, S.A. Description: An unusual natural product pri...

New page

'''Unreleased structure'''

The entry 5g0c is ON HOLD until Paper Publication

Authors: Mujumdar, P., Supuran, C.T., Peat, T.S., Poulsen, S.A.

Description: An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C
[[Category: Unreleased Structures]]
[[Category: Poulsen, S.A]]
[[Category: Peat, T.S]]
[[Category: Supuran, C.T]]
[[Category: Mujumdar, P]]