1ds7 - Revision history

OCA at 06:58, 7 February 2024

OCA — Wed, 07 Feb 2024 06:58:34 GMT

←Older revision		Revision as of 06:58, 7 February 2024
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	<StructureSection load='1ds7' size='340' side='right'caption='[[1ds7]], [[Resolution\|resolution]] 2.06Å' scene=''>		<StructureSection load='1ds7' size='340' side='right'caption='[[1ds7]], [[Resolution\|resolution]] 2.06Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1ds7]] is a 2 chain structure with sequence from [https://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=1DS7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1DS7 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1ds7]] is a 2 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=1DS7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1DS7 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</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]] 2.06Å</td></tr>
-	<tr id='~~activity~~'><td class="sblockLbl"><b>~~Activity~~:</b></td><td class="sblockDat"><~~span class~~='~~plainlinks~~'>~~[https://en.wikipedia.org/wiki/6,7-dihydropteridine_reductase 6,7-dihydropteridine reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.34 1.5.1.34]~~ </~~span~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</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=1ds7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ds7 OCA], [https://pdbe.org/1ds7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ds7 RCSB], [https://www.ebi.ac.uk/pdbsum/1ds7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ds7 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=1ds7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ds7 OCA], [https://pdbe.org/1ds7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ds7 RCSB], [https://www.ebi.ac.uk/pdbsum/1ds7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ds7 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/~~NFNB_ECOLI NFNB_ECOLI]~~] Reduction of a variety of nitroaromatic compounds using NADH (and to lesser extent NADPH) as source of reducing equivalents; two electrons are transferred. Capable of reducing nitrofurazone, quinones and the anti-tumor agent CB1954 (5-(aziridin-1-yl)-2,4-dinitrobenzamide). The reduction of CB1954 results in the generation of cytotoxic species.<ref>PMID:15684426</ref>	+	[https://www.uniprot.org/uniprot/NFSB_ECOLI NFSB_ECOLI] Reduction of a variety of nitroaromatic compounds using NADH (and to lesser extent NADPH) as source of reducing equivalents; two electrons are transferred. Capable of reducing nitrofurazone, quinones and the anti-tumor agent CB1954 (5-(aziridin-1-yl)-2,4-dinitrobenzamide). The reduction of CB1954 results in the generation of cytotoxic species.<ref>PMID:15684426</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	</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=1ds7 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=1ds7 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	The FMN-dependent flavoprotein nitroreductase from Escherichia coli B (NTR) is used in cancer chemotherapy to activate a range of prodrugs. The crystal structure of this enzyme has been determined, using molecular replacement methods and refined at 2.06 A resolution. The recombinant 24-kDa enzyme was crystallized in the tetragonal space group P4(1)2(1)2, with unit cell dimensions of a = b = 57.74 A and c = 275.51 A and two molecules in the asymmetric unit. The structure has a final R factor of 20.3% (R(free) = 26.7%), for all data between the resolution ranges of 10-2.06 A, and includes 4453 protein atoms, 230 water molecules, and 2 flavin mononucleotide (FMN) molecules. The functional unit is a homodimer, which forms the asymmetric unit in the crystal structure. The tertiary structures of these two monomers and their subunit interactions are nearly identical. The molecular replacement search model, the crystal structure of the major NAD(P)H:FMN oxidoreductase of Vibrio fisheri (FRase 1), was selected on the basis of its high sequence identity to that of NTR. The final superposition of these two enzymes revealed a very similar overall fold, with variation in the structures focused around surface loops and helices near the FMN cofactor. Helix G is implicated in substrate specificity and is better resolved in the present NTR structure than in the previously reported FRase 1 structure. The FMN binding pocket is also well-resolved, showing the presence of two channels leading into the active site. The amino acid side chains and main chain atoms interacting with the FMN are well-ordered. The structure of the substrate binding pocket has been used to examine substrate specificity and enzyme kinetics for prodrugs used in antibody-directed enzyme prodrug therapy (ADEPT) and gene-directed enzyme prodrug therapy (GDEPT).
-
-	Crystal structure of FMN-dependent nitroreductase from Escherichia coli B: a prodrug-activating enzyme.,Parkinson GN, Skelly JV, Neidle S J Med Chem. 2000 Oct 5;43(20):3624-31. PMID:11020276<ref>PMID:11020276</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 1ds7" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
-	*[[Nitroreductase\|Nitroreductase]]	+	*[[Nitroreductase 3D structures\|Nitroreductase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~6,7-dihydropteridine reductase~~]]	+	[[Category: Escherichia coli B]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Neidle, S]]	+	[[Category: Neidle S]]
-	[[Category: Parkinson, G]]	+	[[Category: Parkinson G]]
-	[[Category: Skelly, J]]	+	[[Category: Skelly J]]
-	~~[[Category: Flavoprotein]]~~	+
-	~~[[Category: Fmn]]~~	+
-	~~[[Category: Nitroreductase]]~~	+
-	~~[[Category: Oxidoreductase~~]]	+

OCA at 09:30, 21 July 2021

OCA — Wed, 21 Jul 2021 09:30:55 GMT

←Older revision		Revision as of 09:30, 21 July 2021
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	<StructureSection load='1ds7' size='340' side='right'caption='[[1ds7]], [[Resolution\|resolution]] 2.06Å' scene=''>		<StructureSection load='1ds7' size='340' side='right'caption='[[1ds7]], [[Resolution\|resolution]] 2.06Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1ds7]] is a 2 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=1DS7 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1DS7 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1ds7]] is a 2 chain structure with sequence from [https://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=1DS7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1DS7 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/6,7-dihydropteridine_reductase 6,7-dihydropteridine reductase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.34 1.5.1.34] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/6,7-dihydropteridine_reductase 6,7-dihydropteridine reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.34 1.5.1.34] </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=1ds7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ds7 OCA], [~~http~~://pdbe.org/1ds7 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1ds7 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1ds7 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1ds7 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=1ds7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ds7 OCA], [https://pdbe.org/1ds7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ds7 RCSB], [https://www.ebi.ac.uk/pdbsum/1ds7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ds7 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/NFNB_ECOLI NFNB_ECOLI]] Reduction of a variety of nitroaromatic compounds using NADH (and to lesser extent NADPH) as source of reducing equivalents; two electrons are transferred. Capable of reducing nitrofurazone, quinones and the anti-tumor agent CB1954 (5-(aziridin-1-yl)-2,4-dinitrobenzamide). The reduction of CB1954 results in the generation of cytotoxic species.<ref>PMID:15684426</ref>	+	[[https://www.uniprot.org/uniprot/NFNB_ECOLI NFNB_ECOLI]] Reduction of a variety of nitroaromatic compounds using NADH (and to lesser extent NADPH) as source of reducing equivalents; two electrons are transferred. Capable of reducing nitrofurazone, quinones and the anti-tumor agent CB1954 (5-(aziridin-1-yl)-2,4-dinitrobenzamide). The reduction of CB1954 results in the generation of cytotoxic species.<ref>PMID:15684426</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]

OCA at 14:50, 16 October 2019

OCA — Wed, 16 Oct 2019 14:50:18 GMT

←Older revision		Revision as of 14:50, 16 October 2019
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	==A MINOR FMN-DEPENDENT NITROREDUCTASE FROM ESCHERICHIA COLI B==		==A MINOR FMN-DEPENDENT NITROREDUCTASE FROM ESCHERICHIA COLI B==
-	<StructureSection load='1ds7' size='340' side='right' caption='[[1ds7]], [[Resolution\|resolution]] 2.06Å' scene=''>	+	<StructureSection load='1ds7' size='340' side='right'caption='[[1ds7]], [[Resolution\|resolution]] 2.06Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1ds7]] is a 2 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=1DS7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1DS7 FirstGlance]. <br>		<table><tr><td colspan='2'>[[1ds7]] is a 2 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=1DS7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1DS7 FirstGlance]. <br>
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	</div>		</div>
	<div class="pdbe-citations 1ds7" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1ds7" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Nitroreductase\|Nitroreductase]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: 6,7-dihydropteridine reductase]]		[[Category: 6,7-dihydropteridine reductase]]
		+	[[Category: Large Structures]]
	[[Category: Neidle, S]]		[[Category: Neidle, S]]
	[[Category: Parkinson, G]]		[[Category: Parkinson, G]]

OCA at 08:06, 13 December 2017

OCA — Wed, 13 Dec 2017 08:06:49 GMT

←Older revision		Revision as of 08:06, 13 December 2017
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		+
	==A MINOR FMN-DEPENDENT NITROREDUCTASE FROM ESCHERICHIA COLI B==		==A MINOR FMN-DEPENDENT NITROREDUCTASE FROM ESCHERICHIA COLI B==
	<StructureSection load='1ds7' size='340' side='right' caption='[[1ds7]], [[Resolution\|resolution]] 2.06Å' scene=''>		<StructureSection load='1ds7' size='340' side='right' caption='[[1ds7]], [[Resolution\|resolution]] 2.06Å' scene=''>
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	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/6,7-dihydropteridine_reductase 6,7-dihydropteridine reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.34 1.5.1.34] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/6,7-dihydropteridine_reductase 6,7-dihydropteridine reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.34 1.5.1.34] </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=1ds7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ds7 OCA], [http://pdbe.org/1ds7 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1ds7 RCSB], [http://www.ebi.ac.uk/pdbsum/1ds7 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=1ds7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ds7 OCA], [http://pdbe.org/1ds7 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1ds7 RCSB], [http://www.ebi.ac.uk/pdbsum/1ds7 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1ds7 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ds/1ds7_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ds/1ds7_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 28:		Line 29:
	</div>		</div>
	<div class="pdbe-citations 1ds7" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1ds7" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Nitroreductase\|Nitroreductase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 14:07, 8 February 2016

OCA — Mon, 08 Feb 2016 14:07:48 GMT

←Older revision		Revision as of 14:07, 8 February 2016
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=1ds7 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 12:18, 10 September 2015

OCA — Thu, 10 Sep 2015 12:18:29 GMT

←Older revision		Revision as of 12:18, 10 September 2015
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	<StructureSection load='1ds7' size='340' side='right' caption='[[1ds7]], [[Resolution\|resolution]] 2.06Å' scene=''>		<StructureSection load='1ds7' size='340' side='right' caption='[[1ds7]], [[Resolution\|resolution]] 2.06Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1ds7]] is a 2 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=1DS7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1DS7 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1ds7]] is a 2 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=1DS7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1DS7 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/6,7-dihydropteridine_reductase 6,7-dihydropteridine reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.34 1.5.1.34] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/6,7-dihydropteridine_reductase 6,7-dihydropteridine reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.34 1.5.1.34] </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=1ds7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ds7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1ds7 RCSB], [http://www.ebi.ac.uk/pdbsum/1ds7 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=1ds7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ds7 OCA], [http://pdbe.org/1ds7 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1ds7 RCSB], [http://www.ebi.ac.uk/pdbsum/1ds7 PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	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 1ds7" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 35:		Line 36:
	</StructureSection>		</StructureSection>
	[[Category: 6,7-dihydropteridine reductase]]		[[Category: 6,7-dihydropteridine reductase]]
-	[[Category: Escherichia coli b]]
	[[Category: Neidle, S]]		[[Category: Neidle, S]]
	[[Category: Parkinson, G]]		[[Category: Parkinson, G]]

OCA at 23:53, 24 December 2014

OCA — Wed, 24 Dec 2014 23:53:40 GMT

←Older revision		Revision as of 23:53, 24 December 2014
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	<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=1ds7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ds7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1ds7 RCSB], [http://www.ebi.ac.uk/pdbsum/1ds7 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=1ds7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ds7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1ds7 RCSB], [http://www.ebi.ac.uk/pdbsum/1ds7 PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/NFNB_ECOLI NFNB_ECOLI]] Reduction of a variety of nitroaromatic compounds using NADH (and to lesser extent NADPH) as source of reducing equivalents; two electrons are transferred. Capable of reducing nitrofurazone, quinones and the anti-tumor agent CB1954 (5-(aziridin-1-yl)-2,4-dinitrobenzamide). The reduction of CB1954 results in the generation of cytotoxic species.<ref>PMID:15684426</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]

OCA at 20:53, 22 December 2014

OCA — Mon, 22 Dec 2014 20:53:49 GMT

←Older revision		Revision as of 20:53, 22 December 2014
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1ds7]] is a 2 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=1DS7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1DS7 FirstGlance]. <br>		<table><tr><td colspan='2'>[[1ds7]] is a 2 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=1DS7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1DS7 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene></td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/6,7-dihydropteridine_reductase 6,7-dihydropteridine reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.34 1.5.1.34] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/6,7-dihydropteridine_reductase 6,7-dihydropteridine reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.34 1.5.1.34] </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=1ds7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ds7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1ds7 RCSB], [http://www.ebi.ac.uk/pdbsum/1ds7 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=1ds7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ds7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1ds7 RCSB], [http://www.ebi.ac.uk/pdbsum/1ds7 PDBsum]</span></td></tr>
-	<table>	+	</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 34:		Line 34:
	[[Category: 6,7-dihydropteridine reductase]]		[[Category: 6,7-dihydropteridine reductase]]
	[[Category: Escherichia coli b]]		[[Category: Escherichia coli b]]
-	[[Category: Neidle, S.]]	+	[[Category: Neidle, S]]
-	[[Category: Parkinson, G.]]	+	[[Category: Parkinson, G]]
-	[[Category: Skelly, J.]]	+	[[Category: Skelly, J]]
	[[Category: Flavoprotein]]		[[Category: Flavoprotein]]
	[[Category: Fmn]]		[[Category: Fmn]]
	[[Category: Nitroreductase]]		[[Category: Nitroreductase]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 10:58, 10 September 2014

OCA — Wed, 10 Sep 2014 10:58:57 GMT

←Older revision		Revision as of 10:58, 10 September 2014
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-	[[~~Image~~:1ds7.~~png\|left~~\|200px]]	+	==A MINOR FMN-DEPENDENT NITROREDUCTASE FROM ESCHERICHIA COLI B==
		+	<StructureSection load='1ds7' size='340' side='right' caption='[[1ds7]], [[Resolution\|resolution]] 2.06Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1ds7]] is a 2 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=1DS7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1DS7 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene><br>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/6,7-dihydropteridine_reductase 6,7-dihydropteridine reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.34 1.5.1.34] </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=1ds7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ds7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1ds7 RCSB], [http://www.ebi.ac.uk/pdbsum/1ds7 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/ds/1ds7_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 FMN-dependent flavoprotein nitroreductase from Escherichia coli B (NTR) is used in cancer chemotherapy to activate a range of prodrugs. The crystal structure of this enzyme has been determined, using molecular replacement methods and refined at 2.06 A resolution. The recombinant 24-kDa enzyme was crystallized in the tetragonal space group P4(1)2(1)2, with unit cell dimensions of a = b = 57.74 A and c = 275.51 A and two molecules in the asymmetric unit. The structure has a final R factor of 20.3% (R(free) = 26.7%), for all data between the resolution ranges of 10-2.06 A, and includes 4453 protein atoms, 230 water molecules, and 2 flavin mononucleotide (FMN) molecules. The functional unit is a homodimer, which forms the asymmetric unit in the crystal structure. The tertiary structures of these two monomers and their subunit interactions are nearly identical. The molecular replacement search model, the crystal structure of the major NAD(P)H:FMN oxidoreductase of Vibrio fisheri (FRase 1), was selected on the basis of its high sequence identity to that of NTR. The final superposition of these two enzymes revealed a very similar overall fold, with variation in the structures focused around surface loops and helices near the FMN cofactor. Helix G is implicated in substrate specificity and is better resolved in the present NTR structure than in the previously reported FRase 1 structure. The FMN binding pocket is also well-resolved, showing the presence of two channels leading into the active site. The amino acid side chains and main chain atoms interacting with the FMN are well-ordered. The structure of the substrate binding pocket has been used to examine substrate specificity and enzyme kinetics for prodrugs used in antibody-directed enzyme prodrug therapy (ADEPT) and gene-directed enzyme prodrug therapy (GDEPT).

-	~~{{STRUCTURE_1ds7\| PDB=1ds7 \| SCENE= }}~~	+	Crystal structure of FMN-dependent nitroreductase from Escherichia coli B: a prodrug-activating enzyme.,Parkinson GN, Skelly JV, Neidle S J Med Chem. 2000 Oct 5;43(20):3624-31. PMID:11020276<ref>PMID:11020276</ref>

-	~~===A MINOR FMN-DEPENDENT NITROREDUCTASE FROM ESCHERICHIA COLI B===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_11020276}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[1ds7]] 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=1DS7 OCA].~~	+

	==See Also==		==See Also==
	*[[Nitroreductase\|Nitroreductase]]		*[[Nitroreductase\|Nitroreductase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:011020276<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: 6,7-dihydropteridine reductase]]		[[Category: 6,7-dihydropteridine reductase]]
-	[[Category: Escherichia coli]]	+	[[Category: Escherichia coli b]]
	[[Category: Neidle, S.]]		[[Category: Neidle, S.]]
	[[Category: Parkinson, G.]]		[[Category: Parkinson, G.]]

OCA at 10:24, 20 October 2012

OCA — Sat, 20 Oct 2012 10:24:24 GMT

←Older revision		Revision as of 10:24, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[1ds7]] is a 2 chain structure ~~of [[Nitroreductase]]~~ 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=1DS7 OCA].	+	[[1ds7]] 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=1DS7 OCA].

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