OCA at 13:38, 24 January 2024

OCA — Wed, 24 Jan 2024 13:38:56 GMT

←Older revision		Revision as of 13:38, 24 January 2024
Line 1:		Line 1:

	==Carborane nido-hexyl-sulfonamide in complex with CA IX mimic==		==Carborane nido-hexyl-sulfonamide in complex with CA IX mimic==
-	<StructureSection load='6yzp' size='340' side='right'caption='[[6yzp]]' scene=''>	+	<StructureSection load='6yzp' size='340' side='right'caption='[[6yzp]], [[Resolution\|resolution]] 1.35Å' 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=6YZP OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6YZP FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6yzp]] 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=6YZP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YZP 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=6yzp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yzp OCA], [~~http~~://pdbe.org/6yzp PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6yzp RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6yzp PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6yzp ProSAT]</span></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]] 1.35Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=Q3H:Carborane+nido-hexyl-sulfonamide'>Q3H</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=6yzp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yzp OCA], [https://pdbe.org/6yzp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6yzp RCSB], [https://www.ebi.ac.uk/pdbsum/6yzp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6yzp ProSAT]</span></td></tr>
	</table>		</table>
		+	== Disease ==
		+	[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 ==
		+	[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;">
		+	== Publication Abstract from PubMed ==
		+	Human carbonic anhydrase IX (CA IX), a protein specifically expressed on the surface of solid tumour cells, represents a validated target both for anticancer therapy and diagnostics. We recently identified sulfonamide dicarbaboranes as promising inhibitors of CA IX with favourable activities both in vitro and in vivo. To explain their selectivity and potency, we performed detailed X-ray structural analysis of their interactions within the active sites of CA IX and CA II. Series of compounds bearing various aliphatic linkers between the dicarbaborane cluster and sulfonamide group were examined. Preferential binding towards the hydrophobic part of the active site cavity was observed. Selectivity towards CA IX lies in the shape complementarity of the dicarbaborane cluster with a specific CA IX hydrophobic patch containing V131 residue. The bulky side chain of F131 residue in CA II alters the shape of the catalytic cavity, disrupting favourable interactions of the spherical dicarbaborane cluster.
		+
		+	The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.,Kugler M, Holub J, Brynda J, Pospisilova K, Anwar SE, Bavol D, Havranek M, Kral V, Fabry M, Gruner B, Rezacova P J Enzyme Inhib Med Chem. 2020 Dec;35(1):1800-1810. doi:, 10.1080/14756366.2020.1816996. PMID:32962427<ref>PMID:32962427</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6yzp" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Carbonic anhydrase 3D structures\|Carbonic anhydrase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Brynda J]]		[[Category: Brynda J]]

OCA at 20:35, 28 October 2020

OCA — Wed, 28 Oct 2020 20:35:16 GMT

←Older revision		Revision as of 20:35, 28 October 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6yzp is ~~ON HOLD until Paper Publication~~	+	==Carborane nido-hexyl-sulfonamide in complex with CA IX mimic==
-		+	<StructureSection load='6yzp' size='340' side='right'caption='[[6yzp]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YZP OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6YZP 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=6yzp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yzp OCA], [http://pdbe.org/6yzp PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6yzp RCSB], [http://www.ebi.ac.uk/pdbsum/6yzp PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6yzp 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 04:28, 20 May 2020

OCA — Wed, 20 May 2020 04:28:25 GMT

←Older revision		Revision as of 04:28, 20 May 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors:		Authors:

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

OCA — Wed, 13 May 2020 04:19:43 GMT

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

←Older revision

Revision as of 04:19, 13 May 2020

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

OCA — Wed, 13 May 2020 04:19:42 GMT

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

New page

'''Unreleased structure'''

The entry 6yzp is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]

6yzp - Revision history

OCA at 13:38, 24 January 2024

OCA at 20:35, 28 October 2020

OCA at 04:28, 20 May 2020

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

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