3wxo - Revision history

OCA at 08:47, 20 March 2024

OCA — Wed, 20 Mar 2024 08:47:50 GMT

←Older revision		Revision as of 08:47, 20 March 2024
Line 3:		Line 3:
	<StructureSection load='3wxo' size='340' side='right'caption='[[3wxo]], [[Resolution\|resolution]] 2.12Å' scene=''>		<StructureSection load='3wxo' size='340' side='right'caption='[[3wxo]], [[Resolution\|resolution]] 2.12Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3wxo]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Anacystis_nidulans_r2 Anacystis nidulans r2~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WXO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WXO FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3wxo]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Synechococcus_elongatus_PCC_7942_=_FACHB-805 Synechococcus elongatus PCC 7942 = FACHB-805]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WXO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WXO FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>~~, ~~<scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NIZ:PYRIDINE-4-CARBOHYDRAZIDE'>NIZ</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]] 2.12Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat">~~katG, Synpcc7942_1656 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode~~=~~Info&srchmode~~=~~5&id=1140 Anacystis nidulans R2])</td~~></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NIZ:PYRIDINE-4-CARBOHYDRAZIDE'>NIZ</scene></td></tr>
-	<~~tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks~~'>~~[https://en.wikipedia.org/wiki/Catalase_peroxidase Catalase peroxidase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.11.1.21 1.11.1.21]~~ </~~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=3wxo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wxo OCA], [https://pdbe.org/3wxo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wxo RCSB], [https://www.ebi.ac.uk/pdbsum/3wxo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wxo 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=3wxo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wxo OCA], [https://pdbe.org/3wxo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wxo RCSB], [https://www.ebi.ac.uk/pdbsum/3wxo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wxo ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/KATG_SYNE7 KATG_SYNE7]] Bifunctional enzyme with both catalase and broad-spectrum peroxidase activity.[HAMAP-Rule:MF_01961]	+	[https://www.uniprot.org/uniprot/KATG_SYNE7 KATG_SYNE7] Bifunctional enzyme with both catalase and broad-spectrum peroxidase activity.[HAMAP-Rule:MF_01961]
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	Isoniazid (INH) is one of the most effective antibiotics against tuberculosis. INH is a prodrug that is activated by KatG. Although extensive studies have been performed in order to understand the mechanism of KatG, even the binding site of INH in KatG remains controversial. In this study, we determined the crystal structure of KatG from Synechococcus elongatus PCC7942 (SeKatG) in a complex with INH at 2.12-A resolution. Three INH molecules were bound to the molecular surface. One INH molecule was bound at the entrance to the epsilon-edge side of heme (designated site 1), another was bound at the entrance to the gamma-edge side of heme (site 2), and another was bound to the loop structures in front of the heme propionate side chain (site 3). All of the interactions between KatG and the bound INH seemed to be weak, being mediated mainly by van der Waals contacts. Structural comparisons revealed that the identity and configuration of the residues in site 1 were very similar among SeKatG, Burkholderia pseudomallei KatG, and Mycobacterium tuberculosis KatG. In contrast, sites 2 and 3 were structurally diverse among the three proteins. Thus, site 1 is probably the common KatG INH-binding site. A static enzymatic analysis and thermal shift assay suggested that the INH-activating reaction does not proceed in site 1, but rather that this site may function as an initial trapping site for the INH molecule. DATABASE: The atomic coordinates and structure factors have been deposited in the Protein Data Bank under the accession number 3WXO.	+
-		+
-	The crystal structure of isoniazid-bound KatG catalase-peroxidase from Synechococcus elongatus PCC7942.,Kamachi S, Hirabayashi K, Tamoi M, Shigeoka S, Tada T, Wada K FEBS J. 2015 Jan;282(1):54-64. doi: 10.1111/febs.13102. Epub 2014 Oct 30. PMID:25303560<ref>PMID:25303560</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3wxo" style="background-color:#fffaf0;"></div>~~	+

	==See Also==		==See Also==
	*[[Catalase 3D structures\|Catalase 3D structures]]		*[[Catalase 3D structures\|Catalase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Anacystis nidulans r2]]
-	[[Category: Catalase peroxidase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Kamachi, S]]~~	+	[[Category: Synechococcus elongatus PCC 7942 = FACHB-805]]
-	~~[[Category: Tada, T]]~~	+	[[Category: Kamachi S]]
-	~~[[Category: Wada, K]]~~	+	[[Category: Tada T]]
-	~~[[Category: Catalase subfamily]]~~	+	[[Category: Wada K]]
-	~~[[Category: Covalent trp-tyr~~-~~met adduct~~]]	+
-	[[Category: ~~Cross-link~~]]	+
-	[[Category: ~~Heme b fe~~]]	+
-	[[Category: ~~Oxidoreductase]]~~	+
-	~~[[Category: Oxidoreductase peroxidase]]~~	+
-	~~[[Category: Peroxidase]]~~	+
-	~~[[Category: Peroxidase family~~]]	+

OCA at 05:34, 10 August 2022

OCA — Wed, 10 Aug 2022 05:34:53 GMT

←Older revision		Revision as of 05:34, 10 August 2022
Line 1:		Line 1:

	==Crystal structure of isoniazid bound KatG catalase peroxidase from Synechococcus elongatus PCC7942==		==Crystal structure of isoniazid bound KatG catalase peroxidase from Synechococcus elongatus PCC7942==
-	<StructureSection load='3wxo' size='340' side='right' caption='[[3wxo]], [[Resolution\|resolution]] 2.12Å' scene=''>	+	<StructureSection load='3wxo' size='340' side='right'caption='[[3wxo]], [[Resolution\|resolution]] 2.12Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3wxo]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Anacystis_nidulans_r2 Anacystis nidulans r2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WXO OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3WXO FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3wxo]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Anacystis_nidulans_r2 Anacystis nidulans r2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WXO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WXO FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NIZ:PYRIDINE-4-CARBOHYDRAZIDE'>NIZ</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NIZ:PYRIDINE-4-CARBOHYDRAZIDE'>NIZ</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">katG, Synpcc7942_1656 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1140 Anacystis nidulans R2])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">katG, Synpcc7942_1656 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1140 Anacystis nidulans R2])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Catalase_peroxidase Catalase peroxidase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.11.1.21 1.11.1.21] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Catalase_peroxidase Catalase peroxidase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.11.1.21 1.11.1.21] </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=3wxo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wxo OCA], [~~http~~://pdbe.org/3wxo PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3wxo RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3wxo PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3wxo 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=3wxo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wxo OCA], [https://pdbe.org/3wxo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wxo RCSB], [https://www.ebi.ac.uk/pdbsum/3wxo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wxo ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/KATG_SYNE7 KATG_SYNE7]] Bifunctional enzyme with both catalase and broad-spectrum peroxidase activity.[HAMAP-Rule:MF_01961]	+	[[https://www.uniprot.org/uniprot/KATG_SYNE7 KATG_SYNE7]] Bifunctional enzyme with both catalase and broad-spectrum peroxidase activity.[HAMAP-Rule:MF_01961]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 22:		Line 22:

	==See Also==		==See Also==
-	*[[Catalase\|Catalase]]	+	*[[Catalase 3D structures\|Catalase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 29:		Line 29:
	[[Category: Anacystis nidulans r2]]		[[Category: Anacystis nidulans r2]]
	[[Category: Catalase peroxidase]]		[[Category: Catalase peroxidase]]
		+	[[Category: Large Structures]]
	[[Category: Kamachi, S]]		[[Category: Kamachi, S]]
	[[Category: Tada, T]]		[[Category: Tada, T]]

OCA at 09:04, 21 February 2019

OCA — Thu, 21 Feb 2019 09:04:01 GMT

←Older revision		Revision as of 09:04, 21 February 2019
Line 3:		Line 3:
	<StructureSection load='3wxo' size='340' side='right' caption='[[3wxo]], [[Resolution\|resolution]] 2.12Å' scene=''>		<StructureSection load='3wxo' size='340' side='right' caption='[[3wxo]], [[Resolution\|resolution]] 2.12Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3wxo]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WXO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WXO FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3wxo]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Anacystis_nidulans_r2 Anacystis nidulans r2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WXO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WXO FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NIZ:PYRIDINE-4-CARBOHYDRAZIDE'>NIZ</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NIZ:PYRIDINE-4-CARBOHYDRAZIDE'>NIZ</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">katG, Synpcc7942_1656 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1140 Anacystis nidulans R2])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Catalase_peroxidase Catalase peroxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.11.1.21 1.11.1.21] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Catalase_peroxidase Catalase peroxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.11.1.21 1.11.1.21] </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=3wxo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wxo OCA], [http://pdbe.org/3wxo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3wxo RCSB], [http://www.ebi.ac.uk/pdbsum/3wxo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3wxo 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=3wxo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wxo OCA], [http://pdbe.org/3wxo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3wxo RCSB], [http://www.ebi.ac.uk/pdbsum/3wxo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3wxo ProSAT]</span></td></tr>
Line 19:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 3wxo" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3wxo" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Catalase\|Catalase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Anacystis nidulans r2]]
	[[Category: Catalase peroxidase]]		[[Category: Catalase peroxidase]]
	[[Category: Kamachi, S]]		[[Category: Kamachi, S]]

OCA at 15:06, 11 August 2016

OCA — Thu, 11 Aug 2016 15:06:45 GMT

←Older revision		Revision as of 15:06, 11 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of isoniazid bound KatG catalase peroxidase from Synechococcus elongatus PCC7942==		==Crystal structure of isoniazid bound KatG catalase peroxidase from Synechococcus elongatus PCC7942==
	<StructureSection load='3wxo' size='340' side='right' caption='[[3wxo]], [[Resolution\|resolution]] 2.12Å' scene=''>		<StructureSection load='3wxo' size='340' side='right' caption='[[3wxo]], [[Resolution\|resolution]] 2.12Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NIZ:PYRIDINE-4-CARBOHYDRAZIDE'>NIZ</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NIZ:PYRIDINE-4-CARBOHYDRAZIDE'>NIZ</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Catalase_peroxidase Catalase peroxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.11.1.21 1.11.1.21] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Catalase_peroxidase Catalase peroxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.11.1.21 1.11.1.21] </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=3wxo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wxo OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wxo RCSB], [http://www.ebi.ac.uk/pdbsum/3wxo 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=3wxo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wxo OCA], [http://pdbe.org/3wxo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3wxo RCSB], [http://www.ebi.ac.uk/pdbsum/3wxo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3wxo ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 17:		Line 18:
	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 3wxo" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 16:50, 21 January 2015

OCA — Wed, 21 Jan 2015 16:50:07 GMT

←Older revision		Revision as of 16:50, 21 January 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of isoniazid bound KatG catalase peroxidase from Synechococcus elongatus PCC7942==
		+	<StructureSection load='3wxo' size='340' side='right' caption='[[3wxo]], [[Resolution\|resolution]] 2.12Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3wxo]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WXO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WXO FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NIZ:PYRIDINE-4-CARBOHYDRAZIDE'>NIZ</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Catalase_peroxidase Catalase peroxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.11.1.21 1.11.1.21] </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=3wxo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wxo OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wxo RCSB], [http://www.ebi.ac.uk/pdbsum/3wxo PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/KATG_SYNE7 KATG_SYNE7]] Bifunctional enzyme with both catalase and broad-spectrum peroxidase activity.[HAMAP-Rule:MF_01961]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Isoniazid (INH) is one of the most effective antibiotics against tuberculosis. INH is a prodrug that is activated by KatG. Although extensive studies have been performed in order to understand the mechanism of KatG, even the binding site of INH in KatG remains controversial. In this study, we determined the crystal structure of KatG from Synechococcus elongatus PCC7942 (SeKatG) in a complex with INH at 2.12-A resolution. Three INH molecules were bound to the molecular surface. One INH molecule was bound at the entrance to the epsilon-edge side of heme (designated site 1), another was bound at the entrance to the gamma-edge side of heme (site 2), and another was bound to the loop structures in front of the heme propionate side chain (site 3). All of the interactions between KatG and the bound INH seemed to be weak, being mediated mainly by van der Waals contacts. Structural comparisons revealed that the identity and configuration of the residues in site 1 were very similar among SeKatG, Burkholderia pseudomallei KatG, and Mycobacterium tuberculosis KatG. In contrast, sites 2 and 3 were structurally diverse among the three proteins. Thus, site 1 is probably the common KatG INH-binding site. A static enzymatic analysis and thermal shift assay suggested that the INH-activating reaction does not proceed in site 1, but rather that this site may function as an initial trapping site for the INH molecule. DATABASE: The atomic coordinates and structure factors have been deposited in the Protein Data Bank under the accession number 3WXO.

-	The ~~entry 3wxo is ON HOLD until Paper Publication~~	+	The crystal structure of isoniazid-bound KatG catalase-peroxidase from Synechococcus elongatus PCC7942.,Kamachi S, Hirabayashi K, Tamoi M, Shigeoka S, Tada T, Wada K FEBS J. 2015 Jan;282(1):54-64. doi: 10.1111/febs.13102. Epub 2014 Oct 30. PMID:25303560<ref>PMID:25303560</ref>

-	~~Authors: Wada~~, K.~~, Tada, T., Kamachi,~~ S.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description: Crystal structure of isoniazid bound KatG catalase peroxidase from Synechococcus elongatus PCC7942~~	+	== References ==
-	[[Category: ~~Unreleased Structures~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Catalase peroxidase]]
	[[Category: Kamachi, S]]		[[Category: Kamachi, S]]
	[[Category: Tada, T]]		[[Category: Tada, T]]
	[[Category: Wada, K]]		[[Category: Wada, K]]
		+	[[Category: Catalase subfamily]]
		+	[[Category: Covalent trp-tyr-met adduct]]
		+	[[Category: Cross-link]]
		+	[[Category: Heme b fe]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: Oxidoreductase peroxidase]]
		+	[[Category: Peroxidase]]
		+	[[Category: Peroxidase family]]

OCA at 13:04, 24 December 2014

OCA — Wed, 24 Dec 2014 13:04:54 GMT

←Older revision		Revision as of 13:04, 24 December 2014
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	Description: Crystal structure of isoniazid bound KatG catalase peroxidase from Synechococcus elongatus PCC7942		Description: Crystal structure of isoniazid bound KatG catalase peroxidase from Synechococcus elongatus PCC7942
		+	[[Category: Unreleased Structures]]
		+	[[Category: Kamachi, S]]
		+	[[Category: Tada, T]]
		+	[[Category: Wada, K]]

OCA at 03:34, 4 September 2014

OCA — Thu, 04 Sep 2014 03:34:03 GMT

←Older revision		Revision as of 03:34, 4 September 2014
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3wxo is ON HOLD	+	The entry 3wxo is ON HOLD until Paper Publication

	Authors: Wada, K., Tada, T., Kamachi, S.		Authors: Wada, K., Tada, T., Kamachi, S.

	Description: Crystal structure of isoniazid bound KatG catalase peroxidase from Synechococcus elongatus PCC7942		Description: Crystal structure of isoniazid bound KatG catalase peroxidase from Synechococcus elongatus PCC7942

OCA at 06:12, 27 August 2014

OCA — Wed, 27 Aug 2014 06:12:38 GMT

←Older revision		Revision as of 06:12, 27 August 2014
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	The entry 3wxo is ON HOLD		The entry 3wxo is ON HOLD

-	Authors: ~~Kei~~ Wada, ~~Toshiji~~ Tada, ~~Saori~~ Kamachi	+	Authors: Wada, K., Tada, T., Kamachi, S.

	Description: Crystal structure of isoniazid bound KatG catalase peroxidase from Synechococcus elongatus PCC7942		Description: Crystal structure of isoniazid bound KatG catalase peroxidase from Synechococcus elongatus PCC7942

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

OCA — Wed, 13 Aug 2014 07:02:26 GMT

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

←Older revision

Revision as of 07:02, 13 August 2014

OCA: New page: '''Unreleased structure''' The entry 3wxo is ON HOLD Authors: Kei Wada, Toshiji Tada, Saori Kamachi Description: Crystal structure of isoniazid bound KatG catalase peroxidase from Syne...

OCA — Wed, 13 Aug 2014 07:02:24 GMT

New page: '''Unreleased structure''' The entry 3wxo is ON HOLD Authors: Kei Wada, Toshiji Tada, Saori Kamachi Description: Crystal structure of isoniazid bound KatG catalase peroxidase from Syne...

New page

'''Unreleased structure'''

The entry 3wxo is ON HOLD

Authors: Kei Wada, Toshiji Tada, Saori Kamachi

Description: Crystal structure of isoniazid bound KatG catalase peroxidase from Synechococcus elongatus PCC7942