2w6o - Revision history

OCA at 15:45, 13 December 2023

OCA — Wed, 13 Dec 2023 15:45:52 GMT

←Older revision		Revision as of 15:45, 13 December 2023
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	<StructureSection load='2w6o' size='340' side='right'caption='[[2w6o]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='2w6o' size='340' side='right'caption='[[2w6o]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2w6o]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~"bacillus_coli"_migula_1895 "bacillus~~ coli~~" migula 1895~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W6O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2W6O FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2w6o]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W6O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2W6O FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=OA3:4~~-~~AMINO-7~~,~~7-DIMETHYL-7,8-DIHYDROQUINAZOLIN-~~5~~(6H)-ONE'>OA3</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]] 2.5Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max-height: 3em;~~'>~~[[2j9g\|2j9g]]~~, ~~[[2vr1\|2vr1]]~~, ~~[[2v5a\|2v5a]]~~, [[1k69\|1k69]], [[2gpw\|2gpw]], [[2w6n\|2w6n]], [[2w6q\|2w6q]], [[1bnc\|1bnc]], [[2w71\|2w71]], [[2v59\|2v59]], [[2w6p\|2w6p]], [[2w7c\|2w7c]], [[2v58\|2v58]], [[2w6z\|2w6z]], [[1dv1\|1dv1]], [[2w6m\|2w6m]], [[2gps\|2gps]], [[2w70\|2w70]], [[1dv2\|1dv2]]</~~div~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=OA3:4-AMINO-7,7-DIMETHYL-7,8-DIHYDROQUINAZOLIN-5(6H)-ONE'>OA3</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=2w6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w6o OCA], [https://pdbe.org/2w6o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2w6o RCSB], [https://www.ebi.ac.uk/pdbsum/2w6o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2w6o 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=2w6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w6o OCA], [https://pdbe.org/2w6o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2w6o RCSB], [https://www.ebi.ac.uk/pdbsum/2w6o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2w6o ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/ACCC_ECOLI ACCC_ECOLI]] This protein is a component of the acetyl coenzyme A carboxylase complex; first, biotin carboxylase catalyzes the carboxylation of the carrier protein and then the transcarboxylase transfers the carboxyl group to form malonyl-CoA.	+	[https://www.uniprot.org/uniprot/ACCC_ECOLI ACCC_ECOLI] This protein is a component of the acetyl coenzyme A carboxylase complex; first, biotin carboxylase catalyzes the carboxylation of the carrier protein and then the transcarboxylase transfers the carboxyl group to form malonyl-CoA.
	== 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: ~~Bacillus~~ coli ~~migula 1895~~]]	+	[[Category: Escherichia coli]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Miller~~, J R~~]]	+	[[Category: Miller JR]]
-	[[Category: Mochalkin, I]]	+	[[Category: Mochalkin I]]
-	~~[[Category: Atp-binding]]~~	+
-	~~[[Category: Atp-grasp domain]]~~	+
-	~~[[Category: Fatty acid biosynthesis]]~~	+
-	~~[[Category: Fragment screening]]~~	+
-	~~[[Category: Ligase]]~~	+
-	~~[[Category: Lipid synthesis]]~~	+
-	~~[[Category: Nucleotide-binding~~]]	+

OCA at 10:58, 6 April 2022

OCA — Wed, 06 Apr 2022 10:58:46 GMT

←Older revision		Revision as of 10:58, 6 April 2022
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	<StructureSection load='2w6o' size='340' side='right'caption='[[2w6o]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='2w6o' size='340' side='right'caption='[[2w6o]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2w6o]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/"bacillus_coli"_migula_1895 "bacillus coli" migula 1895]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W6O OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=2W6O FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2w6o]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/"bacillus_coli"_migula_1895 "bacillus coli" migula 1895]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W6O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2W6O FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=OA3:4-AMINO-7,7-DIMETHYL-7,8-DIHYDROQUINAZOLIN-5(6H)-ONE'>OA3</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=OA3:4-AMINO-7,7-DIMETHYL-7,8-DIHYDROQUINAZOLIN-5(6H)-ONE'>OA3</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2j9g\|2j9g]], [[2vr1\|2vr1]], [[2v5a\|2v5a]], [[1k69\|1k69]], [[2gpw\|2gpw]], [[2w6n\|2w6n]], [[2w6q\|2w6q]], [[1bnc\|1bnc]], [[2w71\|2w71]], [[2v59\|2v59]], [[2w6p\|2w6p]], [[2w7c\|2w7c]], [[2v58\|2v58]], [[2w6z\|2w6z]], [[1dv1\|1dv1]], [[2w6m\|2w6m]], [[2gps\|2gps]], [[2w70\|2w70]], [[1dv2\|1dv2]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2j9g\|2j9g]], [[2vr1\|2vr1]], [[2v5a\|2v5a]], [[1k69\|1k69]], [[2gpw\|2gpw]], [[2w6n\|2w6n]], [[2w6q\|2w6q]], [[1bnc\|1bnc]], [[2w71\|2w71]], [[2v59\|2v59]], [[2w6p\|2w6p]], [[2w7c\|2w7c]], [[2v58\|2v58]], [[2w6z\|2w6z]], [[1dv1\|1dv1]], [[2w6m\|2w6m]], [[2gps\|2gps]], [[2w70\|2w70]], [[1dv2\|1dv2]]</div></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=2w6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w6o OCA], [~~http~~://pdbe.org/2w6o PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2w6o RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2w6o PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2w6o 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=2w6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w6o OCA], [https://pdbe.org/2w6o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2w6o RCSB], [https://www.ebi.ac.uk/pdbsum/2w6o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2w6o ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/ACCC_ECOLI ACCC_ECOLI]] This protein is a component of the acetyl coenzyme A carboxylase complex; first, biotin carboxylase catalyzes the carboxylation of the carrier protein and then the transcarboxylase transfers the carboxyl group to form malonyl-CoA.	+	[[https://www.uniprot.org/uniprot/ACCC_ECOLI ACCC_ECOLI]] This protein is a component of the acetyl coenzyme A carboxylase complex; first, biotin carboxylase catalyzes the carboxylation of the carrier protein and then the transcarboxylase transfers the carboxyl group to form malonyl-CoA.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]

OCA at 08:16, 1 July 2020

OCA — Wed, 01 Jul 2020 08:16:24 GMT

←Older revision		Revision as of 08:16, 1 July 2020
Line 1:		Line 1:

	==Crystal structure of Biotin carboxylase from E. coli in complex with 4-Amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment==		==Crystal structure of Biotin carboxylase from E. coli in complex with 4-Amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment==
-	<StructureSection load='2w6o' size='340' side='right' caption='[[2w6o]], [[Resolution\|resolution]] 2.50Å' scene=''>	+	<StructureSection load='2w6o' size='340' side='right'caption='[[2w6o]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2w6o]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_coli"_migula_1895 "bacillus coli" migula 1895]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W6O OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2W6O FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2w6o]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_coli"_migula_1895 "bacillus coli" migula 1895]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W6O OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=2W6O FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=OA3:4-AMINO-7,7-DIMETHYL-7,8-DIHYDROQUINAZOLIN-5(6H)-ONE'>OA3</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=OA3:4-AMINO-7,7-DIMETHYL-7,8-DIHYDROQUINAZOLIN-5(6H)-ONE'>OA3</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2j9g\|2j9g]], [[2vr1\|2vr1]], [[2v5a\|2v5a]], [[1k69\|1k69]], [[2gpw\|2gpw]], [[2w6n\|2w6n]], [[2w6q\|2w6q]], [[1bnc\|1bnc]], [[2w71\|2w71]], [[2v59\|2v59]], [[2w6p\|2w6p]], [[2w7c\|2w7c]], [[2v58\|2v58]], [[2w6z\|2w6z]], [[1dv1\|1dv1]], [[2w6m\|2w6m]], [[2gps\|2gps]], [[2w70\|2w70]], [[1dv2\|1dv2]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2j9g\|2j9g]], [[2vr1\|2vr1]], [[2v5a\|2v5a]], [[1k69\|1k69]], [[2gpw\|2gpw]], [[2w6n\|2w6n]], [[2w6q\|2w6q]], [[1bnc\|1bnc]], [[2w71\|2w71]], [[2v59\|2v59]], [[2w6p\|2w6p]], [[2w7c\|2w7c]], [[2v58\|2v58]], [[2w6z\|2w6z]], [[1dv1\|1dv1]], [[2w6m\|2w6m]], [[2gps\|2gps]], [[2w70\|2w70]], [[1dv2\|1dv2]]</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=2w6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w6o OCA], [http://pdbe.org/2w6o PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w6o RCSB], [http://www.ebi.ac.uk/pdbsum/2w6o PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2w6o ProSAT]</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=2w6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w6o OCA], [http://pdbe.org/2w6o PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w6o RCSB], [http://www.ebi.ac.uk/pdbsum/2w6o PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2w6o ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 31:		Line 31:

	==See Also==		==See Also==
-	*[[Acetyl-CoA carboxylase\|Acetyl-CoA carboxylase]]	+	*[[Acetyl-CoA carboxylase 3D structures\|Acetyl-CoA carboxylase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 37:		Line 37:
	</StructureSection>		</StructureSection>
	[[Category: Bacillus coli migula 1895]]		[[Category: Bacillus coli migula 1895]]
		+	[[Category: Large Structures]]
	[[Category: Miller, J R]]		[[Category: Miller, J R]]
	[[Category: Mochalkin, I]]		[[Category: Mochalkin, I]]

OCA at 09:32, 26 September 2018

OCA — Wed, 26 Sep 2018 09:32:01 GMT

←Older revision		Revision as of 09:32, 26 September 2018
Line 1:		Line 1:
-	==~~CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM~~ E. ~~COLI IN COMPLEX WITH~~ 4-~~AMINO~~-7,7-~~DIMETHYL~~-7,8-~~DIHYDRO~~-~~QUINAZOLINONE FRAGMENT~~==	+
		+	==Crystal structure of Biotin carboxylase from E. coli in complex with 4-Amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment==
	<StructureSection load='2w6o' size='340' side='right' caption='[[2w6o]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='2w6o' size='340' side='right' caption='[[2w6o]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=OA3:4-AMINO-7,7-DIMETHYL-7,8-DIHYDROQUINAZOLIN-5(6H)-ONE'>OA3</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=OA3:4-AMINO-7,7-DIMETHYL-7,8-DIHYDROQUINAZOLIN-5(6H)-ONE'>OA3</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2j9g\|2j9g]], [[2vr1\|2vr1]], [[2v5a\|2v5a]], [[1k69\|1k69]], [[2gpw\|2gpw]], [[2w6n\|2w6n]], [[2w6q\|2w6q]], [[1bnc\|1bnc]], [[2w71\|2w71]], [[2v59\|2v59]], [[2w6p\|2w6p]], [[2w7c\|2w7c]], [[2v58\|2v58]], [[2w6z\|2w6z]], [[1dv1\|1dv1]], [[2w6m\|2w6m]], [[2gps\|2gps]], [[2w70\|2w70]], [[1dv2\|1dv2]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2j9g\|2j9g]], [[2vr1\|2vr1]], [[2v5a\|2v5a]], [[1k69\|1k69]], [[2gpw\|2gpw]], [[2w6n\|2w6n]], [[2w6q\|2w6q]], [[1bnc\|1bnc]], [[2w71\|2w71]], [[2v59\|2v59]], [[2w6p\|2w6p]], [[2w7c\|2w7c]], [[2v58\|2v58]], [[2w6z\|2w6z]], [[1dv1\|1dv1]], [[2w6m\|2w6m]], [[2gps\|2gps]], [[2w70\|2w70]], [[1dv2\|1dv2]]</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=2w6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w6o OCA], [http://pdbe.org/2w6o PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w6o RCSB], [http://www.ebi.ac.uk/pdbsum/2w6o 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=2w6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w6o OCA], [http://pdbe.org/2w6o PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w6o RCSB], [http://www.ebi.ac.uk/pdbsum/2w6o PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2w6o ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 13:		Line 14:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/w6/2w6o_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/w6/2w6o_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 03:10, 7 February 2016

OCA — Sun, 07 Feb 2016 03:10:36 GMT

←Older revision		Revision as of 03:10, 7 February 2016
Line 2:		Line 2:
	<StructureSection load='2w6o' size='340' side='right' caption='[[2w6o]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='2w6o' size='340' side='right' caption='[[2w6o]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2w6o]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Escherichia_coli Escherichia~~ coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W6O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W6O FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2w6o]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_coli"_migula_1895 "bacillus coli" migula 1895]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W6O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W6O FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=OA3:4-AMINO-7,7-DIMETHYL-7,8-DIHYDROQUINAZOLIN-5(6H)-ONE'>OA3</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=OA3:4-AMINO-7,7-DIMETHYL-7,8-DIHYDROQUINAZOLIN-5(6H)-ONE'>OA3</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2j9g\|2j9g]], [[2vr1\|2vr1]], [[2v5a\|2v5a]], [[1k69\|1k69]], [[2gpw\|2gpw]], [[2w6n\|2w6n]], [[2w6q\|2w6q]], [[1bnc\|1bnc]], [[2w71\|2w71]], [[2v59\|2v59]], [[2w6p\|2w6p]], [[2w7c\|2w7c]], [[2v58\|2v58]], [[2w6z\|2w6z]], [[1dv1\|1dv1]], [[2w6m\|2w6m]], [[2gps\|2gps]], [[2w70\|2w70]], [[1dv2\|1dv2]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2j9g\|2j9g]], [[2vr1\|2vr1]], [[2v5a\|2v5a]], [[1k69\|1k69]], [[2gpw\|2gpw]], [[2w6n\|2w6n]], [[2w6q\|2w6q]], [[1bnc\|1bnc]], [[2w71\|2w71]], [[2v59\|2v59]], [[2w6p\|2w6p]], [[2w7c\|2w7c]], [[2v58\|2v58]], [[2w6z\|2w6z]], [[1dv1\|1dv1]], [[2w6m\|2w6m]], [[2gps\|2gps]], [[2w70\|2w70]], [[1dv2\|1dv2]]</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=2w6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w6o OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w6o RCSB], [http://www.ebi.ac.uk/pdbsum/2w6o 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=2w6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w6o OCA], [http://pdbe.org/2w6o PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w6o RCSB], [http://www.ebi.ac.uk/pdbsum/2w6o PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 17:		Line 17:
	<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=2w6o ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 27:		Line 27:
	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 2w6o" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
-	*[[~~Biotin~~ carboxylase\|~~Biotin~~ carboxylase]]	+	*[[Acetyl-CoA carboxylase\|Acetyl-CoA carboxylase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Escherichia~~ coli]]	+	[[Category: Bacillus coli migula 1895]]
	[[Category: Miller, J R]]		[[Category: Miller, J R]]
	[[Category: Mochalkin, I]]		[[Category: Mochalkin, I]]

OCA at 07:23, 24 December 2014

OCA — Wed, 24 Dec 2014 07:23:10 GMT

←Older revision		Revision as of 07:23, 24 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2w6o]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W6O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W6O FirstGlance]. <br>		<table><tr><td colspan='2'>[[2w6o]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W6O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W6O FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=OA3:4-AMINO-7,7-DIMETHYL-7,8-DIHYDROQUINAZOLIN-5(6H)-ONE'>OA3</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=OA3:4-AMINO-7,7-DIMETHYL-7,8-DIHYDROQUINAZOLIN-5(6H)-ONE'>OA3</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2j9g\|2j9g]], [[2vr1\|2vr1]], [[2v5a\|2v5a]], [[1k69\|1k69]], [[2gpw\|2gpw]], [[2w6n\|2w6n]], [[2w6q\|2w6q]], [[1bnc\|1bnc]], [[2w71\|2w71]], [[2v59\|2v59]], [[2w6p\|2w6p]], [[2w7c\|2w7c]], [[2v58\|2v58]], [[2w6z\|2w6z]], [[1dv1\|1dv1]], [[2w6m\|2w6m]], [[2gps\|2gps]], [[2w70\|2w70]], [[1dv2\|1dv2]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2j9g\|2j9g]], [[2vr1\|2vr1]], [[2v5a\|2v5a]], [[1k69\|1k69]], [[2gpw\|2gpw]], [[2w6n\|2w6n]], [[2w6q\|2w6q]], [[1bnc\|1bnc]], [[2w71\|2w71]], [[2v59\|2v59]], [[2w6p\|2w6p]], [[2w7c\|2w7c]], [[2v58\|2v58]], [[2w6z\|2w6z]], [[1dv1\|1dv1]], [[2w6m\|2w6m]], [[2gps\|2gps]], [[2w70\|2w70]], [[1dv2\|1dv2]]</td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2w6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w6o OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w6o RCSB], [http://www.ebi.ac.uk/pdbsum/2w6o 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=2w6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w6o OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w6o RCSB], [http://www.ebi.ac.uk/pdbsum/2w6o PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/ACCC_ECOLI ACCC_ECOLI]] This protein is a component of the acetyl coenzyme A carboxylase complex; first, biotin carboxylase catalyzes the carboxylation of the carrier protein and then the transcarboxylase transfers the carboxyl group to form malonyl-CoA.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 33:		Line 35:
	</StructureSection>		</StructureSection>
	[[Category: Escherichia coli]]		[[Category: Escherichia coli]]
-	[[Category: Miller, J R.]]	+	[[Category: Miller, J R]]
-	[[Category: Mochalkin, I.]]	+	[[Category: Mochalkin, I]]
	[[Category: Atp-binding]]		[[Category: Atp-binding]]
	[[Category: Atp-grasp domain]]		[[Category: Atp-grasp domain]]

OCA at 06:58, 29 September 2014

OCA — Mon, 29 Sep 2014 06:58:56 GMT

←Older revision		Revision as of 06:58, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~2w6o.~~png~~\|~~left~~\|200px]]	+	==CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E. COLI IN COMPLEX WITH 4-AMINO-7,7-DIMETHYL-7,8-DIHYDRO-QUINAZOLINONE FRAGMENT==
		+	<StructureSection load='2w6o' size='340' side='right' caption='[[2w6o]], [[Resolution\|resolution]] 2.50Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2w6o]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W6O OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W6O FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=OA3:4-AMINO-7,7-DIMETHYL-7,8-DIHYDROQUINAZOLIN-5(6H)-ONE'>OA3</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2j9g\|2j9g]], [[2vr1\|2vr1]], [[2v5a\|2v5a]], [[1k69\|1k69]], [[2gpw\|2gpw]], [[2w6n\|2w6n]], [[2w6q\|2w6q]], [[1bnc\|1bnc]], [[2w71\|2w71]], [[2v59\|2v59]], [[2w6p\|2w6p]], [[2w7c\|2w7c]], [[2v58\|2v58]], [[2w6z\|2w6z]], [[1dv1\|1dv1]], [[2w6m\|2w6m]], [[2gps\|2gps]], [[2w70\|2w70]], [[1dv2\|1dv2]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2w6o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w6o OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w6o RCSB], [http://www.ebi.ac.uk/pdbsum/2w6o PDBsum]</span></td></tr>
		+	<table>
		+	== 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/w6/2w6o_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 ==
		+	One explanation for the lack of novel synthetic antibacterials emerging from target-based screening is that antibacterial target space and the physicochemical properties of antibacterials are significantly different from compounds comprising eukaryotic-biased pharmaceutical screening libraries. Efforts to derive new antibacterial drugs from natural products are hampered because complex natural products do not possess desirable drug-like properties and are less tractable for medicinal chemistry. Therefore, as part of our effort to inhibit bacterial fatty acid biosynthesis through the recently validated target biotin carboxylase, we employed a unique combination of two emergent lead discovery strategies. We used both de novo fragment-based drug discovery; a rapid, resource efficient route to generate novel ligand-efficient hits and virtual screening; which employs 3D shape and electrostatic property similarity searching leveraged from existing co-crystal structures. We screened a collection of unbiased low-molecular weight molecules and identified a structurally diverse collection of weak binding but ligand-efficient molecular fragments as potential drug-like building blocks for biotin carboxylase ATP-competitive inhibitors. Through iterative cycles of structure-based drug design relying on successive fragment co-structures, we improved the potency of the initial hits by up to 3000-fold while maintaining their ligand-efficiency and desirable physicochemical properties. In one example, hit-expansion efforts resulted in a series of amino-oxazoles with antibacterial activity attributed to BC inhibition. These results successfully demonstrate that virtual screening approaches can substantially augment fragment-based screening approaches to identify novel antibacterial agents, offering an alternative strategy for antibacterial discovery particularly applicable when intimate structural knowledge of target active sites and inhibitor binding modes is available.

-	~~{{STRUCTURE_2w6o\| PDB=2w6o \| SCENE= }}~~	+	Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.,Mochalkin I, Miller JR, Narasimhan LS, Thanabal V, Erdman P, Cox P, Prasad JV, Lightle S, Huband M, Stover K ACS Chem Biol. 2009 May 4. PMID:19413326<ref>PMID:19413326</ref>

-	~~===CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E. COLI IN COMPLEX WITH 4-AMINO-7~~,~~7-DIMETHYL-7,8-DIHYDRO-QUINAZOLINONE FRAGMENT===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_19413326}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[2w6o]] is~~ a ~~2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Escherichia_coli Escherichia coli]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=2W6O OCA].~~	+

	==See Also==		==See Also==
	*[[Biotin carboxylase\|Biotin carboxylase]]		*[[Biotin carboxylase\|Biotin carboxylase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:019413326<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Escherichia coli]]		[[Category: Escherichia coli]]
	[[Category: Miller, J R.]]		[[Category: Miller, J R.]]

OCA at 05:26, 20 October 2012

OCA — Sat, 20 Oct 2012 05:26:04 GMT

←Older revision		Revision as of 05:26, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[2w6o]] is a 2 chain structure ~~of [[Biotin carboxylase]]~~ with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W6O OCA].	+	[[2w6o]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W6O OCA].

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

OCA at 10:01, 25 July 2012

OCA — Wed, 25 Jul 2012 10:01:01 GMT

←Older revision		Revision as of 10:01, 25 July 2012
Line 1:		Line 1:
	[[Image:2w6o.png\|left\|200px]]		[[Image:2w6o.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_2w6o", 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_2w6o\| PDB=2w6o \| SCENE= }}		{{STRUCTURE_2w6o\| PDB=2w6o \| SCENE= }}

	===CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E. COLI IN COMPLEX WITH 4-AMINO-7,7-DIMETHYL-7,8-DIHYDRO-QUINAZOLINONE FRAGMENT===		===CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E. COLI IN COMPLEX WITH 4-AMINO-7,7-DIMETHYL-7,8-DIHYDRO-QUINAZOLINONE FRAGMENT===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_19413326}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 19413326 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_19413326}}		{{ABSTRACT_PUBMED_19413326}}

	==About this Structure==		==About this Structure==
-	[[2w6o]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W6O OCA].	+	[[2w6o]] is a 2 chain structure of [[Biotin carboxylase]] with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W6O OCA].
		+
		+	==See Also==
		+	*[[Biotin carboxylase\|Biotin carboxylase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~19413326~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019413326</ref><references group="xtra"/>
	[[Category: Escherichia coli]]		[[Category: Escherichia coli]]
	[[Category: Miller, J R.]]		[[Category: Miller, J R.]]
	[[Category: Mochalkin, I.]]		[[Category: Mochalkin, I.]]
		+	[[Category: Atp-binding]]
		+	[[Category: Atp-grasp domain]]
		+	[[Category: Fatty acid biosynthesis]]
		+	[[Category: Fragment screening]]
		+	[[Category: Ligase]]
		+	[[Category: Lipid synthesis]]
		+	[[Category: Nucleotide-binding]]

OCA: Protected "2w6o" [edit=sysop:move=sysop]

OCA — Wed, 27 Apr 2011 06:34:51 GMT

Protected "2w6o" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:34, 27 April 2011