6yo4 - Revision history

OCA at 13:31, 24 January 2024

OCA — Wed, 24 Jan 2024 13:31:35 GMT

←Older revision		Revision as of 13:31, 24 January 2024
Line 3:		Line 3:
	<StructureSection load='6yo4' size='340' side='right'caption='[[6yo4]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='6yo4' size='340' side='right'caption='[[6yo4]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6yo4]] 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=6YO4 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6YO4 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6yo4]] 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=6YO4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YO4 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=P8B:Para~~-~~Carborane+propyl-sulfonamide'>P8B</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]] 1.7Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>~~[[~~Related_structure~~\|~~Related:~~]]~~</b></td><td class="sblockDat"><div style='overflow: auto~~; ~~max-height: 3em;'>[[6yo2\|6yo2]]</div>~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=P8B:Para-Carborane+propyl-sulfonamide'>P8B</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6yo4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yo4 OCA], [https://pdbe.org/6yo4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6yo4 RCSB], [https://www.ebi.ac.uk/pdbsum/6yo4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6yo4 ProSAT]</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~~://proteopedia.org/fgij/fg.htm?mol=6yo4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yo4 OCA], [~~http~~://pdbe.org/6yo4 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6yo4 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6yo4 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6yo4 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 23:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 6yo4" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6yo4" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[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: Large Structures]]
-	[[Category: Brynda, J]]	+	[[Category: Brynda J]]
-	[[Category: Kugler, M]]	+	[[Category: Kugler M]]
-	[[Category: Pospisilova, K]]	+	[[Category: Pospisilova K]]
-	[[Category: Rezacova, P]]	+	[[Category: Rezacova P]]
-	~~[[Category: Ca inhibitor]]~~	+
-	~~[[Category: Carbonic anhydrase]]~~	+
-	~~[[Category: Lyase~~]]	+

OCA at 12:56, 16 December 2020

OCA — Wed, 16 Dec 2020 12:56:56 GMT

←Older revision		Revision as of 12:56, 16 December 2020
Line 5:		Line 5:
	<table><tr><td colspan='2'>[[6yo4]] 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=6YO4 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6YO4 FirstGlance]. <br>		<table><tr><td colspan='2'>[[6yo4]] 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=6YO4 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6YO4 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=P8B:Para-Carborane+propyl-sulfonamide'>P8B</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=P8B:Para-Carborane+propyl-sulfonamide'>P8B</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">[[6yo2\|6yo2]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[6yo2\|6yo2]]</div></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='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>

OCA at 08:14, 11 November 2020

OCA — Wed, 11 Nov 2020 08:14:05 GMT

←Older revision		Revision as of 08:14, 11 November 2020
Line 1:		Line 1:

	==Para-Carborane propyl-sulfonamide in complex with CA IX mimic==		==Para-Carborane propyl-sulfonamide in complex with CA IX mimic==
-	<StructureSection load='6yo4' size='340' side='right'caption='[[6yo4]]' scene=''>	+	<StructureSection load='6yo4' size='340' side='right'caption='[[6yo4]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YO4 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6YO4 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6yo4]] 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=6YO4 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6YO4 FirstGlance]. <br>
-	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6yo4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yo4 OCA], [http://pdbe.org/6yo4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6yo4 RCSB], [http://www.ebi.ac.uk/pdbsum/6yo4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6yo4 ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=P8B:Para-Carborane+propyl-sulfonamide'>P8B</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">[[6yo2\|6yo2]]</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://proteopedia.org/fgij/fg.htm?mol=6yo4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yo4 OCA], [http://pdbe.org/6yo4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6yo4 RCSB], [http://www.ebi.ac.uk/pdbsum/6yo4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6yo4 ProSAT]</span></td></tr>
	</table>		</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), a tumor-associated metalloenzyme, represents a validated target for cancer therapy and diagnostics. Herein, we report the inhibition properties of isomeric families of sulfonamidopropyl-dicarba- closo -dodecaboranes group(s) prepared using a new direct five-step synthesis from the corresponding parent cages. The protocol offers a reliable solution for synthesis of singly and doubly substituted dicarba- closo -dodecaboranes with a different geometric position of carbon atoms. The closo - compounds from the ortho - and meta - series were then degraded to corresponding 11-vertex dicarba- nido -undecaborate(1-) anions. All the compounds show in vitro enzymatic activity against CA IX in the low nanomolar or subnanomolar range. This is accompanied by clear isomer dependence of the inhibition constant ( K i) and selectivity towards CA IX. Decreasing trends in K i and selectivity index (S I ) values are observed with increasing separation of the cage carbon atoms. Interactions of compounds with the active sites of CA IX were explored with X-ray crystallography, and eight high-resolution crystal structures uncovered the structural basis of inhibition potency and selectivity.
		+
		+	Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Carboranes; the Influence of Stereochemistry on Inhibitory Activity Against Cancer-associated Carbonic Anhydrase IX Isoenzyme.,Nekvinda J, Kugler M, Holub J, El Anwar S, Brynda J, Pospisilova K, Ruzickova Z, Rezacova P, Gruner B Chemistry. 2020 Aug 5. doi: 10.1002/chem.202002809. PMID:32757220<ref>PMID:32757220</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6yo4" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Carbonate dehydratase]]
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Brynda J]]	+	[[Category: Brynda, J]]
-	[[Category: Kugler M]]	+	[[Category: Kugler, M]]
-	[[Category: Pospisilova K]]	+	[[Category: Pospisilova, K]]
-	[[Category: Rezacova P]]	+	[[Category: Rezacova, P]]
		+	[[Category: Ca inhibitor]]
		+	[[Category: Carbonic anhydrase]]
		+	[[Category: Lyase]]

OCA at 06:23, 19 August 2020

OCA — Wed, 19 Aug 2020 06:23:27 GMT

←Older revision		Revision as of 06:23, 19 August 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6yo4 is ~~ON HOLD until Paper Publication~~	+	==Para-Carborane propyl-sulfonamide in complex with CA IX mimic==
-		+	<StructureSection load='6yo4' size='340' side='right'caption='[[6yo4]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YO4 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6YO4 FirstGlance]. <br>
-	~~Description~~:	+	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6yo4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yo4 OCA], [http://pdbe.org/6yo4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6yo4 RCSB], [http://www.ebi.ac.uk/pdbsum/6yo4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6yo4 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Brynda J]]
		+	[[Category: Kugler M]]
		+	[[Category: Pospisilova K]]
		+	[[Category: Rezacova P]]

OCA at 05:23, 29 April 2020

OCA — Wed, 29 Apr 2020 05:23:27 GMT

←Older revision		Revision as of 05:23, 29 April 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6yo4 is ON HOLD	+	The entry 6yo4 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "6yo4" [edit=sysop:move=sysop]

OCA — Wed, 22 Apr 2020 04:27:39 GMT

Protected "6yo4" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:27, 22 April 2020

OCA: New page: '''Unreleased structure''' The entry 6yo4 is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 22 Apr 2020 04:27:37 GMT

New page: '''Unreleased structure''' The entry 6yo4 is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6yo4 is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]