5aop - Revision history

OCA at 06:51, 9 August 2023

2023-08-09T06:51:14Z

←Older revision		Revision as of 06:51, 9 August 2023
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	==SULFITE REDUCTASE STRUCTURE REDUCED WITH CRII EDTA, 5-COORDINATE SIROHEME, SIROHEME FEII, [4FE-4S] +1==		==SULFITE REDUCTASE STRUCTURE REDUCED WITH CRII EDTA, 5-COORDINATE SIROHEME, SIROHEME FEII, [4FE-4S] +1==
-	<StructureSection load='5aop' size='340' side='right' caption='[[5aop]], [[Resolution\|resolution]] 2.20Å' scene=''>	+	<StructureSection load='5aop' size='340' side='right'caption='[[5aop]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5aop]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Escherichia_coli_(strain_b)~~ Escherichia coli ~~(strain b)~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AOP OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5AOP FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5aop]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_B Escherichia coli B]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AOP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5AOP FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat"~~><scene name~~=~~'pdbligand=K:POTASSIUM+ION'>K</scene~~>, ~~<scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4</scene>, <scene name='pdbligand=SRM:SIROHEME'>SRM</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]] 2.2Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat">~~CYSIJ ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode~~=~~Info&srchmode~~=~~5&id=37762 Escherichia coli (strain B)])</td~~></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4</scene>, <scene name='pdbligand=SRM:SIROHEME'>SRM</scene></td></tr>
-	<~~tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:</b></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks~~'>~~[http://en.wikipedia.org/wiki/Sulfite_reductase_(NADPH) Sulfite reductase (NADPH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.2 1.8.1.2]~~ </~~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=5aop FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5aop OCA], [https://pdbe.org/5aop PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5aop RCSB], [https://www.ebi.ac.uk/pdbsum/5aop PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5aop 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=5aop FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5aop OCA], [~~http~~://pdbe.org/5aop PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5aop RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5aop PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5aop ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CYSI_ECOLI CYSI_ECOLI]] Component of the sulfite reductase complex that catalyzes the 6-electron reduction of sulfite to sulfide. This is one of several activities required for the biosynthesis of L-cysteine from sulfate.[HAMAP-Rule:MF_01540]	+	[https://www.uniprot.org/uniprot/CYSI_ECOLI CYSI_ECOLI] Component of the sulfite reductase complex that catalyzes the 6-electron reduction of sulfite to sulfide. This is one of several activities required for the biosynthesis of L-cysteine from sulfate.[HAMAP-Rule:MF_01540]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ao/5aop_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ao/5aop_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>
Line 34:		Line 33:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Crane,~~ B R]]	+	[[Category: Escherichia coli B]]
-	[[Category: ~~Getzoff, E D~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~5-coordinate siroheme~~]]	+	[[Category: Crane BR]]
-	[[Category: ~~Crii edta]]~~	+	[[Category: Getzoff ED]]
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Reduced]]~~	+
-	~~[[Category: Siroheme feii~~]]	+

OCA at 20:00, 5 August 2016

2016-08-05T20:00:38Z

←Older revision		Revision as of 20:00, 5 August 2016
Line 1:		Line 1:
		+
	==SULFITE REDUCTASE STRUCTURE REDUCED WITH CRII EDTA, 5-COORDINATE SIROHEME, SIROHEME FEII, [4FE-4S] +1==		==SULFITE REDUCTASE STRUCTURE REDUCED WITH CRII EDTA, 5-COORDINATE SIROHEME, SIROHEME FEII, [4FE-4S] +1==
	<StructureSection load='5aop' size='340' side='right' caption='[[5aop]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='5aop' size='340' side='right' caption='[[5aop]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5aop]] is a 1 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=5AOP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5AOP FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5aop]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli_(strain_b) Escherichia coli (strain b)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AOP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5AOP FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4</scene>, <scene name='pdbligand=SRM:SIROHEME'>SRM</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4</scene>, <scene name='pdbligand=SRM:SIROHEME'>SRM</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYSIJ ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=~~562~~ Escherichia coli])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYSIJ ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=37762 Escherichia coli (strain B)])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Sulfite_reductase_(NADPH) Sulfite reductase (NADPH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.2 1.8.1.2] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Sulfite_reductase_(NADPH) Sulfite reductase (NADPH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.2 1.8.1.2] </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=5aop FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5aop OCA], [http://www.rcsb.org/pdb/explore.do?structureId=5aop RCSB], [http://www.ebi.ac.uk/pdbsum/5aop 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=5aop FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5aop OCA], [http://pdbe.org/5aop PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5aop RCSB], [http://www.ebi.ac.uk/pdbsum/5aop PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5aop ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	<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=5aop ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 28:		Line 29:
	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 5aop" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Escherichia coli]]
	[[Category: Crane, B R]]		[[Category: Crane, B R]]
	[[Category: Getzoff, E D]]		[[Category: Getzoff, E D]]

OCA at 21:30, 25 December 2014

2014-12-25T21:30:20Z

←Older revision		Revision as of 21:30, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5aop]] is a 1 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=5AOP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5AOP FirstGlance]. <br>		<table><tr><td colspan='2'>[[5aop]] is a 1 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=5AOP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5AOP FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4</scene>, <scene name='pdbligand=SRM:SIROHEME'>SRM</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4</scene>, <scene name='pdbligand=SRM:SIROHEME'>SRM</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYSIJ ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 Escherichia coli])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYSIJ ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 Escherichia coli])</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Sulfite_reductase_(NADPH) Sulfite reductase (NADPH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.2 1.8.1.2] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Sulfite_reductase_(NADPH) Sulfite reductase (NADPH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.2 1.8.1.2] </span></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=5aop FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5aop OCA], [http://www.rcsb.org/pdb/explore.do?structureId=5aop RCSB], [http://www.ebi.ac.uk/pdbsum/5aop 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=5aop FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5aop OCA], [http://www.rcsb.org/pdb/explore.do?structureId=5aop RCSB], [http://www.ebi.ac.uk/pdbsum/5aop PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CYSI_ECOLI CYSI_ECOLI]] Component of the sulfite reductase complex that catalyzes the 6-electron reduction of sulfite to sulfide. This is one of several activities required for the biosynthesis of L-cysteine from sulfate.[HAMAP-Rule:MF_01540]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	</StructureSection>		</StructureSection>
	[[Category: Escherichia coli]]		[[Category: Escherichia coli]]
-	[[Category: Crane, B R.]]	+	[[Category: Crane, B R]]
-	[[Category: Getzoff, E D.]]	+	[[Category: Getzoff, E D]]
	[[Category: 5-coordinate siroheme]]		[[Category: 5-coordinate siroheme]]
	[[Category: Crii edta]]		[[Category: Crii edta]]

OCA: Protected "5aop" [edit=sysop:move=sysop]

2014-06-05T07:34:52Z

Protected "5aop" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:34, 5 June 2014

OCA at 07:34, 5 June 2014

2014-06-05T07:34:50Z

←Older revision		Revision as of 07:34, 5 June 2014
Line 1:		Line 1:
-	~~{{Seed}}~~	+	==SULFITE REDUCTASE STRUCTURE REDUCED WITH CRII EDTA, 5-COORDINATE SIROHEME, SIROHEME FEII, [4FE-4S] +1==
-	[[~~Image:~~5aop.~~png~~\|~~left~~\|200px]]	+	<StructureSection load='5aop' size='340' side='right' caption='[[5aop]], [[Resolution\|resolution]] 2.20Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5aop]] is a 1 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=5AOP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5AOP FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4</scene>, <scene name='pdbligand=SRM:SIROHEME'>SRM</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CYSIJ ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 Escherichia coli])</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Sulfite_reductase_(NADPH) Sulfite reductase (NADPH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.2 1.8.1.2] </span></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=5aop FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5aop OCA], [http://www.rcsb.org/pdb/explore.do?structureId=5aop RCSB], [http://www.ebi.ac.uk/pdbsum/5aop 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/ao/5aop_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 ==
		+	The active center of the Escherichia coli sulfite reductase hemoprotein (SiRHP) is exquisitely designed to catalyze the six-electron reductions of sulfite to sulfide and nitrite to ammonia. Refined high-resolution crystallographic structures of oxidized, two-electron reduced, and intermediately reduced states of SiRHP, monitored by single-crystal electron paramagnetic resonance (EPR) spectroscopy, reveal that a bridging cysteine thiolate supplied by the protein always covalently links the siroheme (iron isobacteriochlorin) to the Fe4S4 cluster, facilitating their ability to transfer electrons to substrate. The reduction potential and reactivity of the cluster are tuned by association with the siroheme, accessibility to solvent, and hydrogen bonds supplied by the protein loops containing the four cluster-ligating cysteines. The distorted conformation of the siroheme recognized by the protein potentially destabilizes the electronic conjugation of the isobacteriochlorin ring and produces axial configurations for some propionate side chains that promote interactions with exogenous ligands and active-site residues. An extensive hydrogen-bond network of positively charged side chains, ordered water molecules, and siroheme carboxylates coordinates, polarizes, and influences the protonation state of anionic ligands. In the oxidized (siroheme Fe3+, Fe4S42+) SiRHP crystal structure, the high density of positive charges in the binding pocket is stabilized by the siroheme's sixth axial ligand-an exogenous phosphate anion. Binding assays with H32PO42- demonstrate that oxidized SiRHP binds phosphate in solution with a dissociation constant of 14 microM at pH 7.7, suggesting that phosphate anions play an important role in stabilizing and sequestering the active-site of the oxidized enzyme in vivo. Reduction of the cofactors couples changes in siroheme iron coordination geometry to changes in active-site protein conformation, leading to phosphate release both in the crystal and in solution. An intermediately reduced enzyme, where the siroheme is mainly ferrous (+2) and the cluster cubane is mainly oxidized (+2), appears to have the lowest affinity for phosphate in the crystal. Reduction-gated release of phosphate from the substrate-binding site may explain the 10(5)-fold increase in rates of ligand association that accompany reduction of SiRHP.

-	<!--	+	Structures of the siroheme- and Fe4S4-containing active center of sulfite reductase in different states of oxidation: heme activation via reduction-gated exogenous ligand exchange.,Crane BR, Siegel LM, Getzoff ED Biochemistry. 1997 Oct 7;36(40):12101-19. PMID:9315848<ref>PMID:9315848</ref>
-	~~The line below this paragraph,~~ containing ~~"STRUCTURE_5aop"~~, ~~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_5aop\| PDB=5aop \| SCENE= }}~~	+

-	~~===SULFITE REDUCTASE STRUCTURE REDUCED WITH CRII EDTA~~, ~~5-COORDINATE SIROHEME, SIROHEME FEII, [4FE-4S] +1===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-		+	== References ==
-	~~<!--~~	+	<references/>
-	~~The line below this paragraph, {{ABSTRACT_PUBMED_9315848}}, adds~~ the ~~Publication Abstract to the page~~	+	__TOC__
-	~~(as it appears on PubMed at http://www~~.~~pubmed~~.~~gov), where 9315848 is the PubMed ID number~~.	+	</StructureSection>
-	-->	+	[[Category: Escherichia coli]]
-	~~{{ABSTRACT_PUBMED_9315848}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~5AOP is a 1 chain structure with sequence from [http:~~/~~/en.wikipedia.org/wiki/Escherichia_coli_b Escherichia coli b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AOP OCA].~~	+
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:9315848<~~/~~ref~~><~~references group="xtra"~~/>	+
-	[[Category: Escherichia coli b]]	+
	[[Category: Crane, B R.]]		[[Category: Crane, B R.]]
	[[Category: Getzoff, E D.]]		[[Category: Getzoff, E D.]]
Line 32:		Line 38:
	[[Category: Reduced]]		[[Category: Reduced]]
	[[Category: Siroheme feii]]		[[Category: Siroheme feii]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Sep 22 11:36:41 2010''

OCA at 08:27, 22 September 2010

2010-09-22T08:27:42Z

←Older revision		Revision as of 08:27, 22 September 2010
Line 20:		Line 20:

	==About this Structure==		==About this Structure==
-	5AOP is a ~~[[Single protein]]~~ structure of sequence from [http://en.wikipedia.org/wiki/Escherichia_coli_b Escherichia coli b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AOP OCA].	+	5AOP is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli_b Escherichia coli b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AOP OCA].

	==Reference==		==Reference==
-	Structures of the siroheme- and Fe4S4-containing active center of sulfite reductase in different states of oxidation: heme activation via reduction-gated exogenous ligand exchange., Crane BR, Siegel LM, Getzoff ED, Biochemistry. 1997 Oct 7;36(40):12101-19. PMID:~~[http:~~//~~www.ncbi.nlm.nih.gov/pubmed/9315848 9315848]~~	+	<ref group="xtra">PMID:9315848</ref><references group="xtra"/>
	[[Category: Escherichia coli b]]		[[Category: Escherichia coli b]]
-	[[Category: ~~Single protein~~]]	+	[[Category: Crane, B R.]]
-	[[Category: ~~Pdbx_ordinal=~~, ~~<PDBx:audit_author~~.]]	+	[[Category: Getzoff, E D.]]
	[[Category: 5-coordinate siroheme]]		[[Category: 5-coordinate siroheme]]
	[[Category: Crii edta]]		[[Category: Crii edta]]
Line 33:		Line 33:
	[[Category: Siroheme feii]]		[[Category: Siroheme feii]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Mar 25 20~~:56:~~22 2009~~''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Sep 22 11:36:41 2010''

OCA at 18:56, 25 March 2009

2009-03-25T18:56:23Z

←Older revision		Revision as of 18:56, 25 March 2009
Line 20:		Line 20:

	==About this Structure==		==About this Structure==
-	5AOP is a ~~1 chain~~ structure of sequence from [http://en.wikipedia.org/wiki/Escherichia_coli_b Escherichia coli b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AOP OCA].	+	5AOP is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Escherichia_coli_b Escherichia coli b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AOP OCA].

	==Reference==		==Reference==
-	~~<ref group="xtra">~~PMID:~~9315848<~~/~~ref><references group="xtra"~~/>	+	Structures of the siroheme- and Fe4S4-containing active center of sulfite reductase in different states of oxidation: heme activation via reduction-gated exogenous ligand exchange., Crane BR, Siegel LM, Getzoff ED, Biochemistry. 1997 Oct 7;36(40):12101-19. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9315848 9315848]
	[[Category: Escherichia coli b]]		[[Category: Escherichia coli b]]
-	[[Category: ~~Crane, B R.~~]]	+	[[Category: Single protein]]
-	[[Category: ~~Getzoff~~, ~~E D~~.]]	+	[[Category: Pdbx_ordinal=, <PDBx:audit_author.]]
	[[Category: 5-coordinate siroheme]]		[[Category: 5-coordinate siroheme]]
	[[Category: Crii edta]]		[[Category: Crii edta]]
Line 33:		Line 33:
	[[Category: Siroheme feii]]		[[Category: Siroheme feii]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Mar 25 11:17:04 2009''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Mar 25 20:56:22 2009''

OCA at 09:17, 25 March 2009

2009-03-25T09:17:06Z

←Older revision		Revision as of 09:17, 25 March 2009
Line 20:		Line 20:

	==About this Structure==		==About this Structure==
-	5AOP is a 1 chain structure of 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=5AOP OCA].	+	5AOP is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Escherichia_coli_b Escherichia coli b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AOP OCA].

	==Reference==		==Reference==
	<ref group="xtra">PMID:9315848</ref><references group="xtra"/>		<ref group="xtra">PMID:9315848</ref><references group="xtra"/>
-	[[Category: Escherichia coli]]	+	[[Category: Escherichia coli b]]
	[[Category: Crane, B R.]]		[[Category: Crane, B R.]]
	[[Category: Getzoff, E D.]]		[[Category: Getzoff, E D.]]
Line 33:		Line 33:
	[[Category: Siroheme feii]]		[[Category: Siroheme feii]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Feb 18 08~~:18:55 2009''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Mar 25 11:17:04 2009''

OCA at 06:18, 18 February 2009

2009-02-18T06:18:56Z

←Older revision		Revision as of 06:18, 18 February 2009
Line 20:		Line 20:

	==About this Structure==		==About this Structure==
-	5AOP is a ~~[[Single protein]]~~ structure of 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=5AOP OCA].	+	5AOP is a 1 chain structure of 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=5AOP OCA].

	==Reference==		==Reference==
-	Structures of the siroheme- and Fe4S4-containing active center of sulfite reductase in different states of oxidation: heme activation via reduction-gated exogenous ligand exchange., Crane BR, Siegel LM, Getzoff ED, Biochemistry. 1997 Oct 7;36(40):12101-19. PMID:~~[http:~~//~~www.ncbi.nlm.nih.gov/pubmed/9315848 9315848]~~	+	<ref group="xtra">PMID:9315848</ref><references group="xtra"/>
	[[Category: Escherichia coli]]		[[Category: Escherichia coli]]
-	[[Category: Single protein]]
	[[Category: Crane, B R.]]		[[Category: Crane, B R.]]
	[[Category: Getzoff, E D.]]		[[Category: Getzoff, E D.]]
Line 34:		Line 33:
	[[Category: Siroheme feii]]		[[Category: Siroheme feii]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Thu Jul 3 13~~:56:~~14 2008~~''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 18 08:18:55 2009''

OCA at 10:56, 3 July 2008

2008-07-03T10:56:15Z

←Older revision		Revision as of 10:56, 3 July 2008
Line 1:		Line 1:
-	[[Image:5aop.~~gif~~\|left\|200px]]	+	{{Seed}}
		+	[[Image:5aop.png\|left\|200px]]

	<!--		<!--
Line 9:		Line 10:
	{{STRUCTURE_5aop\| PDB=5aop \| SCENE= }}		{{STRUCTURE_5aop\| PDB=5aop \| SCENE= }}

-	~~'''~~SULFITE REDUCTASE STRUCTURE REDUCED WITH CRII EDTA, 5-COORDINATE SIROHEME, SIROHEME FEII, [4FE-4S] +1~~'''~~	+	===SULFITE REDUCTASE STRUCTURE REDUCED WITH CRII EDTA, 5-COORDINATE SIROHEME, SIROHEME FEII, [4FE-4S] +1===


-	~~==Overview==~~	+	<!--
-	The active center of the Escherichia coli sulfite reductase hemoprotein (SiRHP) is exquisitely designed to catalyze the six-electron reductions of sulfite to sulfide and nitrite to ammonia. Refined high-resolution crystallographic structures of oxidized, ~~two-electron reduced, and intermediately reduced states of SiRHP, monitored by single-crystal electron paramagnetic resonance (EPR) spectroscopy~~, ~~reveal that a bridging cysteine thiolate supplied by~~ the ~~protein always covalently links the siroheme (iron isobacteriochlorin)~~ to the Fe4S4 cluster, facilitating their ability to transfer electrons to substrate. The reduction potential and reactivity of the cluster are tuned by association with the siroheme, accessibility to solvent, and hydrogen bonds supplied by the protein loops containing the four cluster-ligating cysteines. The distorted conformation of the siroheme recognized by the protein potentially destabilizes the electronic conjugation of the isobacteriochlorin ring and produces axial configurations for some propionate side chains that promote interactions with exogenous ligands and active-site residues. An extensive hydrogen-bond network of positively charged side chains, ordered water molecules, and siroheme carboxylates coordinates, polarizes, and influences the protonation state of anionic ligands. In the oxidized (siroheme Fe3+, Fe4S42+) SiRHP crystal structure, the high density of positive charges in the binding pocket is stabilized by the siroheme's sixth axial ligand-an exogenous phosphate anion. Binding assays with H32PO42- demonstrate that oxidized SiRHP binds phosphate in solution with a dissociation constant of 14 microM at ~~pH 7~~.~~7, suggesting that phosphate anions play an important role in stabilizing and sequestering the active-site of the oxidized enzyme in vivo~~. Reduction of the cofactors couples changes in siroheme iron coordination geometry to changes in active-site protein conformation, leading to phosphate release both in the crystal and in solution. An intermediately reduced enzyme, where ~~the siroheme~~ is ~~mainly ferrous (+2) and~~ the ~~cluster cubane is mainly oxidized (+2), appears to have the lowest affinity for phosphate in the crystal~~. ~~Reduction~~-~~gated release of phosphate from the substrate~~-~~binding site may explain the 10(5)-fold increase in rates of ligand association that accompany reduction of SiRHP.~~	+	The line below this paragraph, {{ABSTRACT_PUBMED_9315848}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 9315848 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_9315848}}

	==About this Structure==		==About this Structure==
Line 29:		Line 33:
	[[Category: Reduced]]		[[Category: Reduced]]
	[[Category: Siroheme feii]]		[[Category: Siroheme feii]]
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Sun May~~ ~~4 22~~:31:54 2008''	+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Jul 3 13:56:14 2008''