3kl6 - Revision history

OCA at 02:01, 21 November 2024

2024-11-21T02:01:42Z

← Older revision		Revision as of 02:01, 21 November 2024
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	<jmolCheckbox>		<jmolCheckbox>
	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/kl/3kl6_consurf.spt"</scriptWhenChecked>		<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/kl/3kl6_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/~~initialview01~~.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>

OCA at 08:18, 6 September 2023

2023-09-06T08:18:08Z

← Older revision		Revision as of 08:18, 6 September 2023
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	==Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor==		==Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor==
	<StructureSection load='3kl6' size='340' side='right' caption='[[3kl6]], [[Resolution\|resolution]] 1.45Å' scene=''>		<StructureSection load='3kl6' size='340' side='right'caption='[[3kl6]], [[Resolution\|resolution]] 1.45Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3kl6]] is a 2 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=3KL6 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3KL6 FirstGlance]. <br>		<table><tr><td colspan='2'>[[3kl6]] is a 2 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=3KL6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3KL6 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=443:1-(1-{(2S)-3-[(6-CHLORONAPHTHALEN-2-YL)SULFONYL]-2-HYDROXYPROPANOYL}PIPERIDIN-4-YL)TETRAHYDROPYRIMIDIN-2(1H)-ONE'>443</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</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='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">F10 ([http://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=443:1-(1-{(2S)-3-[(6-CHLORONAPHTHALEN-2-YL)SULFONYL]-2-HYDROXYPROPANOYL}PIPERIDIN-4-YL)TETRAHYDROPYRIMIDIN-2(1H)-ONE'>443</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Coagulation_factor_Xa Coagulation factor Xa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.6 3.4.21.6] </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=3kl6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kl6 OCA], [https://pdbe.org/3kl6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3kl6 RCSB], [https://www.ebi.ac.uk/pdbsum/3kl6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3kl6 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=3kl6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kl6 OCA], [~~http~~://pdbe.org/3kl6 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3kl6 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3kl6 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3kl6 ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
	[~~[http~~://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN]] Defects in F10 are the cause of factor X deficiency (FA10D) [MIM:[~~http~~://omim.org/entry/227600 227600]]. A hemorrhagic disease with variable presentation. Affected individuals can manifest prolonged nasal and mucosal hemorrhage, menorrhagia, hematuria, and occasionally hemarthrosis. Some patients do not have clinical bleeding diathesis.<ref>PMID:2790181</ref> <ref>PMID:1973167</ref> <ref>PMID:1985698</ref> <ref>PMID:7669671</ref> <ref>PMID:8529633</ref> <ref>PMID:7860069</ref> <ref>PMID:8845463</ref> <ref>PMID:8910490</ref> <ref>PMID:10468877</ref> <ref>PMID:10746568</ref> <ref>PMID:10739379</ref> <ref>PMID:11248282</ref> <ref>PMID:11728527</ref> <ref>PMID:12945883</ref> <ref>PMID:15650540</ref> <ref>PMID:17393015</ref> <ref>PMID:19135706</ref>		[https://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN] Defects in F10 are the cause of factor X deficiency (FA10D) [MIM:[https://omim.org/entry/227600 227600]. A hemorrhagic disease with variable presentation. Affected individuals can manifest prolonged nasal and mucosal hemorrhage, menorrhagia, hematuria, and occasionally hemarthrosis. Some patients do not have clinical bleeding diathesis.<ref>PMID:2790181</ref> <ref>PMID:1973167</ref> <ref>PMID:1985698</ref> <ref>PMID:7669671</ref> <ref>PMID:8529633</ref> <ref>PMID:7860069</ref> <ref>PMID:8845463</ref> <ref>PMID:8910490</ref> <ref>PMID:10468877</ref> <ref>PMID:10746568</ref> <ref>PMID:10739379</ref> <ref>PMID:11248282</ref> <ref>PMID:11728527</ref> <ref>PMID:12945883</ref> <ref>PMID:15650540</ref> <ref>PMID:17393015</ref> <ref>PMID:19135706</ref>
	== Function ==		== Function ==
	[~~[http~~://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN]] Factor Xa is a vitamin K-dependent glycoprotein that converts prothrombin to thrombin in the presence of factor Va, calcium and phospholipid during blood clotting.		[https://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN] Factor Xa is a vitamin K-dependent glycoprotein that converts prothrombin to thrombin in the presence of factor Va, calcium and phospholipid during blood clotting.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Coagulation factor Xa~~]]		[[Category: Homo sapiens]]
	[[Category: ~~Human~~]]		[[Category: Large Structures]]
	[[Category: Aertgeerts, K]]		[[Category: Aertgeerts K]]
	~~[[Category: Blood coagulation]]~~
	~~[[Category: Cleavage on pair of basic residue]]~~
	~~[[Category: Coagulation factor xa]]~~
	~~[[Category: Disulfide bond]]~~
	~~[[Category: Egf-like domain]]~~
	~~[[Category: Gamma-carboxyglutamic acid]]~~
	~~[[Category: Glycoprotein]]~~
	~~[[Category: Hydrolase]]~~
	~~[[Category: Hydroxylation]]~~
	~~[[Category: Protease]]~~
	~~[[Category: Secreted]]~~
	~~[[Category: Serine protease]]~~
	~~[[Category: Zymogen~~]]

OCA at 09:43, 26 December 2018

2018-12-26T09:43:17Z

← Older revision		Revision as of 09:43, 26 December 2018
Line 1:		Line 1:

	==Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor==		==Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor==
	<StructureSection load='3kl6' size='340' side='right' caption='[[3kl6]], [[Resolution\|resolution]] 1.45Å' scene=''>		<StructureSection load='3kl6' size='340' side='right' caption='[[3kl6]], [[Resolution\|resolution]] 1.45Å' scene=''>
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	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">F10 ([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">F10 ([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/Coagulation_factor_Xa Coagulation factor Xa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.6 3.4.21.6] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Coagulation_factor_Xa Coagulation factor Xa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.6 3.4.21.6] </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=3kl6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kl6 OCA], [http://pdbe.org/3kl6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3kl6 RCSB], [http://www.ebi.ac.uk/pdbsum/3kl6 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=3kl6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kl6 OCA], [http://pdbe.org/3kl6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3kl6 RCSB], [http://www.ebi.ac.uk/pdbsum/3kl6 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3kl6 ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
Line 16:		Line 17:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/kl/3kl6_consurf.spt"</scriptWhenChecked>		<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/kl/3kl6_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>

OCA at 08:38, 9 February 2016

2016-02-09T08:38:23Z

← Older revision		Revision as of 08:38, 9 February 2016
Line 2:		Line 2:
	<StructureSection load='3kl6' size='340' side='right' caption='[[3kl6]], [[Resolution\|resolution]] 1.45Å' scene=''>		<StructureSection load='3kl6' size='340' side='right' caption='[[3kl6]], [[Resolution\|resolution]] 1.45Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3kl6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Homo_sapiens Homo sapiens~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3KL6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3KL6 FirstGlance]. <br>		<table><tr><td colspan='2'>[[3kl6]] is a 2 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=3KL6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3KL6 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=443:1-(1-{(2S)-3-[(6-CHLORONAPHTHALEN-2-YL)SULFONYL]-2-HYDROXYPROPANOYL}PIPERIDIN-4-YL)TETRAHYDROPYRIMIDIN-2(1H)-ONE'>443</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=443:1-(1-{(2S)-3-[(6-CHLORONAPHTHALEN-2-YL)SULFONYL]-2-HYDROXYPROPANOYL}PIPERIDIN-4-YL)TETRAHYDROPYRIMIDIN-2(1H)-ONE'>443</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">F10 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 ~~Homo sapiens~~])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">F10 ([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/Coagulation_factor_Xa Coagulation factor Xa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.6 3.4.21.6] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Coagulation_factor_Xa Coagulation factor Xa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.6 3.4.21.6] </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=3kl6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kl6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3kl6 RCSB], [http://www.ebi.ac.uk/pdbsum/3kl6 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=3kl6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kl6 OCA], [http://pdbe.org/3kl6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3kl6 RCSB], [http://www.ebi.ac.uk/pdbsum/3kl6 PDBsum]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
Line 20:		Line 20:
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].		</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3kl6 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 30:		Line 30:
	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 3kl6" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 38:		Line 39:
	</StructureSection>		</StructureSection>
	[[Category: Coagulation factor Xa]]		[[Category: Coagulation factor Xa]]
	[[Category: ~~Homo sapiens~~]]		[[Category: Human]]
	[[Category: Aertgeerts, K]]		[[Category: Aertgeerts, K]]
	[[Category: Blood coagulation]]		[[Category: Blood coagulation]]

OCA at 16:28, 18 December 2014

2014-12-18T16:28:34Z

← Older revision		Revision as of 16:28, 18 December 2014
Line 1:		Line 1:
	~~{{STRUCTURE_3kl6\| PDB=3kl6 \| SCENE= }}~~		==Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor==
	===Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor===		<StructureSection load='3kl6' size='340' side='right' caption='[[3kl6]], [[Resolution\|resolution]] 1.45Å' scene=''>
	{~~{ABSTRACT_PUBMED_20355714}~~}		== Structural highlights ==
			<table><tr><td colspan='2'>[[3kl6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3KL6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3KL6 FirstGlance]. <br>
	==Disease==		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=443:1-(1-{(2S)-3-[(6-CHLORONAPHTHALEN-2-YL)SULFONYL]-2-HYDROXYPROPANOYL}PIPERIDIN-4-YL)TETRAHYDROPYRIMIDIN-2(1H)-ONE'>443</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
			<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">F10 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
			<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Coagulation_factor_Xa Coagulation factor Xa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.6 3.4.21.6] </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=3kl6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kl6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3kl6 RCSB], [http://www.ebi.ac.uk/pdbsum/3kl6 PDBsum]</span></td></tr>
			</table>
			== Disease ==
	[[http://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN]] Defects in F10 are the cause of factor X deficiency (FA10D) [MIM:[http://omim.org/entry/227600 227600]]. A hemorrhagic disease with variable presentation. Affected individuals can manifest prolonged nasal and mucosal hemorrhage, menorrhagia, hematuria, and occasionally hemarthrosis. Some patients do not have clinical bleeding diathesis.<ref>PMID:2790181</ref> <ref>PMID:1973167</ref> <ref>PMID:1985698</ref> <ref>PMID:7669671</ref> <ref>PMID:8529633</ref> <ref>PMID:7860069</ref> <ref>PMID:8845463</ref> <ref>PMID:8910490</ref> <ref>PMID:10468877</ref> <ref>PMID:10746568</ref> <ref>PMID:10739379</ref> <ref>PMID:11248282</ref> <ref>PMID:11728527</ref> <ref>PMID:12945883</ref> <ref>PMID:15650540</ref> <ref>PMID:17393015</ref> <ref>PMID:19135706</ref>		[[http://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN]] Defects in F10 are the cause of factor X deficiency (FA10D) [MIM:[http://omim.org/entry/227600 227600]]. A hemorrhagic disease with variable presentation. Affected individuals can manifest prolonged nasal and mucosal hemorrhage, menorrhagia, hematuria, and occasionally hemarthrosis. Some patients do not have clinical bleeding diathesis.<ref>PMID:2790181</ref> <ref>PMID:1973167</ref> <ref>PMID:1985698</ref> <ref>PMID:7669671</ref> <ref>PMID:8529633</ref> <ref>PMID:7860069</ref> <ref>PMID:8845463</ref> <ref>PMID:8910490</ref> <ref>PMID:10468877</ref> <ref>PMID:10746568</ref> <ref>PMID:10739379</ref> <ref>PMID:11248282</ref> <ref>PMID:11728527</ref> <ref>PMID:12945883</ref> <ref>PMID:15650540</ref> <ref>PMID:17393015</ref> <ref>PMID:19135706</ref>
			== Function ==
			[[http://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN]] Factor Xa is a vitamin K-dependent glycoprotein that converts prothrombin to thrombin in the presence of factor Va, calcium and phospholipid during blood clotting.
			== Evolutionary Conservation ==
			[[Image:Consurf_key_small.gif\|200px\|right]]
			Check<jmol>
			<jmolCheckbox>
			<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/kl/3kl6_consurf.spt"</scriptWhenChecked>
			<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
			<text>to colour the structure by Evolutionary Conservation</text>
			</jmolCheckbox>
			</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
			<div style="clear:both"></div>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Coagulation enzyme factor Xa (FXa) is a particularly promising target for the development of new anticoagulant agents. We previously reported the imidazo[1,5-c]imidazol-3-one derivative 1 as a potent and orally active FXa inhibitor. However, it was found that 1 predominantly undergoes hydrolysis upon incubation with human liver microsomes, and the human specific metabolic pathway made it difficult to predict the human pharmacokinetics. To address this issue, our synthetic efforts were focused on modification of the imidazo[1,5-c]imidazol-3-one moiety of the active metabolite 3a, derived from 1, which resulted in the discovery of the tetrahydropyrimidin-2(1H)-one derivative 5k as a highly potent and selective FXa inhibitor. Compound 5k showed no detectable amide bond cleavage in human liver microsomes, exhibited a good pharmacokinetic profile in monkeys, and had a potent antithrombotic efficacy in a rabbit model without prolongation of bleeding time. Compound 5k is currently under clinical development with the code name TAK-442.

	~~==Function==~~		Discovery of a tetrahydropyrimidin-2(1H)-one derivative (TAK-442) as a potent, selective, and orally active factor Xa inhibitor.,Fujimoto T, Imaeda Y, Konishi N, Hiroe K, Kawamura M, Textor GP, Aertgeerts K, Kubo K J Med Chem. 2010 May 13;53(9):3517-31. PMID:20355714<ref>PMID:20355714</ref>
	~~[[http://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN]] Factor Xa is~~ a ~~vitamin K~~-~~dependent glycoprotein that converts prothrombin to thrombin in the presence of~~ factor Va, ~~calcium and phospholipid during blood clotting~~.

	~~==About this Structure==~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	~~[[3kl6]] is~~ a ~~2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Homo_sapiens Homo sapiens]~~. ~~Full crystallographic information is available from [http:/~~/~~oca.weizmann.ac.il/oca-bin/ocashort?id=3KL6 OCA].~~		</div>

	==See Also==		==See Also==
	*[[Factor Xa\|Factor Xa]]		*[[Factor Xa\|Factor Xa]]
			== References ==
	==~~Reference~~==		<references/>
	~~<ref group="xtra">PMID:020355714</ref>~~<references ~~group="xtra"~~/><~~references~~/>		__TOC__
			</StructureSection>
	[[Category: Coagulation factor Xa]]		[[Category: Coagulation factor Xa]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Aertgeerts, K.]]		[[Category: Aertgeerts, K]]
	[[Category: Blood coagulation]]		[[Category: Blood coagulation]]
	[[Category: Cleavage on pair of basic residue]]		[[Category: Cleavage on pair of basic residue]]

OCA at 10:27, 24 April 2013

2013-04-24T10:27:29Z

← Older revision		Revision as of 10:27, 24 April 2013
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	==Disease==		==Disease==
	[[http://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN]] Defects in F10 are the cause of factor X deficiency (FA10D) [MIM:[http://omim.org/entry/227600 227600]]. A hemorrhagic disease with variable presentation. Affected individuals can manifest prolonged nasal and mucosal hemorrhage, menorrhagia, hematuria, and occasionally hemarthrosis. Some patients do not have clinical bleeding diathesis.<ref>PMID:2790181</ref><ref>PMID:1973167</ref><ref>PMID:1985698</ref><ref>PMID:7669671</ref><ref>PMID:8529633</ref><ref>PMID:7860069</ref><ref>PMID:8845463</ref><ref>PMID:8910490</ref><ref>PMID:10468877</ref><ref>PMID:10746568</ref><ref>PMID:10739379</ref><ref>PMID:11248282</ref><ref>PMID:11728527</ref><ref>PMID:12945883</ref><ref>PMID:15650540</ref><ref>PMID:17393015</ref><ref>PMID:19135706</ref>		[[http://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN]] Defects in F10 are the cause of factor X deficiency (FA10D) [MIM:[http://omim.org/entry/227600 227600]]. A hemorrhagic disease with variable presentation. Affected individuals can manifest prolonged nasal and mucosal hemorrhage, menorrhagia, hematuria, and occasionally hemarthrosis. Some patients do not have clinical bleeding diathesis.<ref>PMID:2790181</ref> <ref>PMID:1973167</ref> <ref>PMID:1985698</ref> <ref>PMID:7669671</ref> <ref>PMID:8529633</ref> <ref>PMID:7860069</ref> <ref>PMID:8845463</ref> <ref>PMID:8910490</ref> <ref>PMID:10468877</ref> <ref>PMID:10746568</ref> <ref>PMID:10739379</ref> <ref>PMID:11248282</ref> <ref>PMID:11728527</ref> <ref>PMID:12945883</ref> <ref>PMID:15650540</ref> <ref>PMID:17393015</ref> <ref>PMID:19135706</ref>

	==Function==		==Function==

OCA at 05:10, 25 March 2013

2013-03-25T05:10:05Z

← Older revision		Revision as of 05:10, 25 March 2013
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	~~[[Image:3kl6.png\|left\|200px]]~~

	{{STRUCTURE_3kl6\| PDB=3kl6 \| SCENE= }}		{{STRUCTURE_3kl6\| PDB=3kl6 \| SCENE= }}
			===Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor===
			{{ABSTRACT_PUBMED_20355714}}

	===~~Discovery~~ of ~~Tetrahydropyrimidin-2~~(1H)~~-one derivative TAK-442~~: A ~~potent~~, ~~selective~~ and ~~orally active factor Xa inhibitor===~~		==Disease==
			[[http://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN]] Defects in F10 are the cause of factor X deficiency (FA10D) [MIM:[http://omim.org/entry/227600 227600]]. A hemorrhagic disease with variable presentation. Affected individuals can manifest prolonged nasal and mucosal hemorrhage, menorrhagia, hematuria, and occasionally hemarthrosis. Some patients do not have clinical bleeding diathesis.<ref>PMID:2790181</ref><ref>PMID:1973167</ref><ref>PMID:1985698</ref><ref>PMID:7669671</ref><ref>PMID:8529633</ref><ref>PMID:7860069</ref><ref>PMID:8845463</ref><ref>PMID:8910490</ref><ref>PMID:10468877</ref><ref>PMID:10746568</ref><ref>PMID:10739379</ref><ref>PMID:11248282</ref><ref>PMID:11728527</ref><ref>PMID:12945883</ref><ref>PMID:15650540</ref><ref>PMID:17393015</ref><ref>PMID:19135706</ref>

	~~{{ABSTRACT_PUBMED_20355714}}~~		==Function==
			[[http://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN]] Factor Xa is a vitamin K-dependent glycoprotein that converts prothrombin to thrombin in the presence of factor Va, calcium and phospholipid during blood clotting.

	==About this Structure==		==About this Structure==
Line 14:		Line 16:

	==Reference==		==Reference==
	<ref group="xtra">PMID:020355714</ref><references group="xtra"/>		<ref group="xtra">PMID:020355714</ref><references group="xtra"/><references/>
	[[Category: Coagulation factor Xa]]		[[Category: Coagulation factor Xa]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]

OCA at 13:18, 20 October 2012

2012-10-20T13:18:02Z

← Older revision		Revision as of 13:18, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
	[[3kl6]] is a 2 chain structure ~~of [[Factor Xa]]~~ with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3KL6 OCA].		[[3kl6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3KL6 OCA].

	==See Also==		==See Also==

OCA: Protected "3kl6" [edit=sysop:move=sysop]

2012-07-26T11:31:39Z

Protected "3kl6" [edit=sysop:move=sysop]

← Older revision	Revision as of 11:31, 26 July 2012
(No difference)

OCA at 11:31, 26 July 2012

2012-07-26T11:31:38Z

← Older revision		Revision as of 11:31, 26 July 2012
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	~~{{Seed}}~~
	[[Image:3kl6.png\|left\|200px]]		[[Image:3kl6.png\|left\|200px]]

	~~<!--~~
	~~The line below this paragraph, containing "STRUCTURE_3kl6", creates the "Structure Box" on the page.~~
	~~You may change the PDB parameter (which sets the PDB file loaded into the applet)~~
	~~or the SCENE parameter (which sets the initial scene displayed when the page is loaded),~~
	~~or leave the SCENE parameter empty for the default display.~~
	~~-->~~
	{{STRUCTURE_3kl6\| PDB=3kl6 \| SCENE= }}		{{STRUCTURE_3kl6\| PDB=3kl6 \| SCENE= }}

	===Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor===		===Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor===


	~~<!--~~
	~~The line below this paragraph, {{ABSTRACT_PUBMED_20355714}}, adds the Publication Abstract to the page~~
	~~(as it appears on PubMed at http://www.pubmed.gov), where 20355714 is the PubMed ID number.~~
	~~-->~~
	{{ABSTRACT_PUBMED_20355714}}		{{ABSTRACT_PUBMED_20355714}}

	==~~Disease~~==		==About this Structure==
	~~Known disease associated with this~~ structure: Factor ~~X deficiency OMIM~~:[[http://~~www~~.~~ncbi~~.~~nlm~~.~~nih.gov~~/~~entrez~~/~~dispomim.cgi~~?id=~~227600 227600]~~]		[[3kl6]] is a 2 chain structure of [[Factor Xa]] with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3KL6 OCA].

	==~~About this Structure~~==		==See Also==
	~~3KL6 is a 2 chains structure with sequences from~~ [~~http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens~~]~~. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3KL6 OCA~~].		*[[Factor Xa\|Factor Xa]]

	==Reference==		==Reference==
	<ref group="xtra">PMID:~~20355714~~</ref><references group="xtra"/>		<ref group="xtra">PMID:020355714</ref><references group="xtra"/>
	[[Category: Coagulation factor Xa]]		[[Category: Coagulation factor Xa]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Aertgeerts, K.]]		[[Category: Aertgeerts, K.]]
	[[Category: Blood coagulation]]		[[Category: Blood coagulation]]
	~~[[Category: Calcium]]~~
	[[Category: Cleavage on pair of basic residue]]		[[Category: Cleavage on pair of basic residue]]
	[[Category: Coagulation factor xa]]		[[Category: Coagulation factor xa]]
Line 40:		Line 27:
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Hydroxylation]]		[[Category: Hydroxylation]]
	~~[[Category: Polymorphism]]~~
	[[Category: Protease]]		[[Category: Protease]]
	[[Category: Secreted]]		[[Category: Secreted]]
	[[Category: Serine protease]]		[[Category: Serine protease]]
	[[Category: Zymogen]]		[[Category: Zymogen]]

	~~''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu May 20 09:06:26 2010''~~