6qn5 - Revision history

OCA at 12:04, 24 January 2024

OCA — Wed, 24 Jan 2024 12:04:08 GMT

←Older revision		Revision as of 12:04, 24 January 2024
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	<StructureSection load='6qn5' size='340' side='right'caption='[[6qn5]], [[Resolution\|resolution]] 1.96Å' scene=''>		<StructureSection load='6qn5' size='340' side='right'caption='[[6qn5]], [[Resolution\|resolution]] 1.96Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6qn5]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QN5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6QN5 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6qn5]] is a 4 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=6QN5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6QN5 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=J8N:4~~-~~chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide'>J8N</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]] 1.96Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>CA9, G250, MN ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id=~~9606 HUMAN])</td~~><~~/tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=J8N:4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide'>J8N</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~~'>~~[https://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [https://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=6qn5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qn5 OCA], [https://pdbe.org/6qn5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6qn5 RCSB], [https://www.ebi.ac.uk/pdbsum/6qn5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6qn5 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=6qn5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qn5 OCA], [https://pdbe.org/6qn5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6qn5 RCSB], [https://www.ebi.ac.uk/pdbsum/6qn5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6qn5 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/CAH9_HUMAN CAH9_HUMAN]] Reversible hydration of carbon dioxide. Participates in pH regulation. May be involved in the control of cell proliferation and transformation. Appears to be a novel specific biomarker for a cervical neoplasia.<ref>PMID:18703501</ref>	+	[https://www.uniprot.org/uniprot/CAH9_HUMAN CAH9_HUMAN] Reversible hydration of carbon dioxide. Participates in pH regulation. May be involved in the control of cell proliferation and transformation. Appears to be a novel specific biomarker for a cervical neoplasia.<ref>PMID:18703501</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: Leitans, J]]	+	[[Category: Leitans J]]
-	[[Category: Tars, K]]	+	[[Category: Tars K]]
-	~~[[Category: Lyase~~]]	+

OCA at 05:46, 6 October 2021

OCA — Wed, 06 Oct 2021 05:46:15 GMT

←Older revision		Revision as of 05:46, 6 October 2021
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	<StructureSection load='6qn5' size='340' side='right'caption='[[6qn5]], [[Resolution\|resolution]] 1.96Å' scene=''>		<StructureSection load='6qn5' size='340' side='right'caption='[[6qn5]], [[Resolution\|resolution]] 1.96Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6qn5]] is a 4 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=6QN5 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6QN5 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6qn5]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QN5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6QN5 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=J8N:4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide'>J8N</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=J8N:4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide'>J8N</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">CA9, G250, MN ([~~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">CA9, G250, MN ([https://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'>[https://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [https://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=6qn5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qn5 OCA], [~~http~~://pdbe.org/6qn5 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6qn5 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6qn5 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6qn5 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=6qn5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qn5 OCA], [https://pdbe.org/6qn5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6qn5 RCSB], [https://www.ebi.ac.uk/pdbsum/6qn5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6qn5 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/CAH9_HUMAN CAH9_HUMAN]] Reversible hydration of carbon dioxide. Participates in pH regulation. May be involved in the control of cell proliferation and transformation. Appears to be a novel specific biomarker for a cervical neoplasia.<ref>PMID:18703501</ref>	+	[[https://www.uniprot.org/uniprot/CAH9_HUMAN CAH9_HUMAN]] Reversible hydration of carbon dioxide. Participates in pH regulation. May be involved in the control of cell proliferation and transformation. Appears to be a novel specific biomarker for a cervical neoplasia.<ref>PMID:18703501</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	By applying an approach of a "ring with two tails", a series of novel inhibitors possessing high-affinity and significant selectivity towards selected carbonic anhydrase (CA) isoforms has been designed. The "ring" consists of 2-chloro/bromo-benzenesulfonamide, where the sulfonamide group is as an anchor coordinating the Zn(II) in the active site of CAs, and halogen atom orients the ring affecting the affinity and selectivity. First "tail" is a substituent containing carbonyl, carboxyl, hydroxyl, ether groups or hydrophilic amide linkage. The second "tail" contains aryl- or alkyl-substituents attached through a sulfanyl or sulfonyl group. Both "tails" are connected to the benzene ring and play a crucial role in selectivity. Varying the substituents, we designed compounds selective for CA VII, CA IX, CA XII, or CA XIV. Since due to binding-linked protonation reactions the binding-ready fractions of the compound and protein are much lower than one, the "intrinsic" affinities were calculated that should be used to study correlations between crystal structures and the thermodynamics of binding for rational drug design. The "intrinsic" affinities together with the intrinsic enthalpies and entropies of binding together with co-crystal structures were used demonstrate structural factors determining major contributions for compound affinity and selectivity.
		+
		+	Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.,Zaksauskas A, Capkauskaite E, Jezepcikas L, Linkuviene V, Paketuryte V, Smirnov A, Leitans J, Kazaks A, Dvinskis E, Manakova E, Grazulis S, Tars K, Matulis D Eur J Med Chem. 2020 Jan 1;185:111825. doi: 10.1016/j.ejmech.2019.111825. Epub, 2019 Oct 31. PMID:31740053<ref>PMID:31740053</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6qn5" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Carbonic anhydrase 3D structures\|Carbonic anhydrase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 10:25, 18 March 2020

OCA — Wed, 18 Mar 2020 10:25:12 GMT

←Older revision		Revision as of 10:25, 18 March 2020
Line 3:		Line 3:
	<StructureSection load='6qn5' size='340' side='right'caption='[[6qn5]], [[Resolution\|resolution]] 1.96Å' scene=''>		<StructureSection load='6qn5' size='340' side='right'caption='[[6qn5]], [[Resolution\|resolution]] 1.96Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6qn5]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QN5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6QN5 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6qn5]] is a 4 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=6QN5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6QN5 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=J8N:4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide'>J8N</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=J8N:4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide'>J8N</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">CA9, G250, MN ([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=6qn5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qn5 OCA], [http://pdbe.org/6qn5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6qn5 RCSB], [http://www.ebi.ac.uk/pdbsum/6qn5 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6qn5 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=6qn5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qn5 OCA], [http://pdbe.org/6qn5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6qn5 RCSB], [http://www.ebi.ac.uk/pdbsum/6qn5 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6qn5 ProSAT]</span></td></tr>
Line 15:		Line 16:
	</StructureSection>		</StructureSection>
	[[Category: Carbonate dehydratase]]		[[Category: Carbonate dehydratase]]
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Leitans, J]]		[[Category: Leitans, J]]
	[[Category: Tars, K]]		[[Category: Tars, K]]
	[[Category: Lyase]]		[[Category: Lyase]]

OCA at 09:20, 26 February 2020

OCA — Wed, 26 Feb 2020 09:20:50 GMT

←Older revision		Revision as of 09:20, 26 February 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6qn5 is ~~ON HOLD~~	+	==Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide==
-		+	<StructureSection load='6qn5' size='340' side='right'caption='[[6qn5]], [[Resolution\|resolution]] 1.96Å' scene=''>
-	~~Authors~~: ~~Leitans~~, J., ~~Tars~~, K.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6qn5]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6QN5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6QN5 FirstGlance]. <br>
-	~~Description~~: ~~Three dimensional structure~~ of ~~human carbonic anhydrase IX~~ in ~~complex with benzenesulfonamide~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=J8N:4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide'>J8N</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	<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=6qn5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6qn5 OCA], [http://pdbe.org/6qn5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6qn5 RCSB], [http://www.ebi.ac.uk/pdbsum/6qn5 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6qn5 ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CAH9_HUMAN CAH9_HUMAN]] Reversible hydration of carbon dioxide. Participates in pH regulation. May be involved in the control of cell proliferation and transformation. Appears to be a novel specific biomarker for a cervical neoplasia.<ref>PMID:18703501</ref>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Carbonate dehydratase]]
		+	[[Category: Large Structures]]
	[[Category: Leitans, J]]		[[Category: Leitans, J]]
	[[Category: Tars, K]]		[[Category: Tars, K]]
		+	[[Category: Lyase]]

OCA: Protected "6qn5" [edit=sysop:move=sysop]

OCA — Thu, 21 Feb 2019 05:20:33 GMT

Protected "6qn5" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:20, 21 February 2019

OCA: New page: '''Unreleased structure''' The entry 6qn5 is ON HOLD Authors: Leitans, J., Tars, K. Description: Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfo...

OCA — Thu, 21 Feb 2019 05:20:32 GMT

New page: '''Unreleased structure''' The entry 6qn5 is ON HOLD Authors: Leitans, J., Tars, K. Description: Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfo...

New page

'''Unreleased structure'''

The entry 6qn5 is ON HOLD

Authors: Leitans, J., Tars, K.

Description: Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
[[Category: Unreleased Structures]]
[[Category: Leitans, J]]
[[Category: Tars, K]]