1hx4 - Revision history

OCA at 18:39, 29 November 2023

OCA — Wed, 29 Nov 2023 18:39:44 GMT

←Older revision		Revision as of 18:39, 29 November 2023
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	==MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY==		==MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY==
-	<StructureSection load='1hx4' size='340' side='right'caption='[[1hx4~~]], [[NMR_Ensembles_of_Models \| 9 NMR models~~]]' scene=''>	+	<StructureSection load='1hx4' size='340' side='right'caption='[[1hx4]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1hx4]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HX4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1HX4 FirstGlance]. <br>		<table><tr><td colspan='2'>[[1hx4]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HX4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1HX4 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=BPJ:(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL'>BPJ</scene>~~</td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max~~-~~height: 3em;~~'>~~[[1hwv\|1hwv]]~~</~~div~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BPJ:(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL'>BPJ</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=1hx4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hx4 OCA], [https://pdbe.org/1hx4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1hx4 RCSB], [https://www.ebi.ac.uk/pdbsum/1hx4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1hx4 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=1hx4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hx4 OCA], [https://pdbe.org/1hx4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1hx4 RCSB], [https://www.ebi.ac.uk/pdbsum/1hx4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1hx4 ProSAT]</span></td></tr>
	</table>		</table>
Line 22:		Line 22:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Amin, S]]	+	[[Category: Amin S]]
-	[[Category: Broyde, S]]	+	[[Category: Broyde S]]
-	[[Category: Geacintov~~, N E~~]]	+	[[Category: Geacintov NE]]
-	[[Category: Hingerty~~, B E~~]]	+	[[Category: Hingerty BE]]
-	[[Category: Huang, X]]	+	[[Category: Huang X]]
-	[[Category: Kolbanovskii, A]]	+	[[Category: Kolbanovskii A]]
-	[[Category: Lin~~, C H~~]]	+	[[Category: Lin CH]]
-	[[Category: Patel~~, D J]]~~	+	[[Category: Patel DJ]]
-	~~[[Category: 1r-trans-anti-bph-n2-g adduct]]~~	+
-	~~[[Category: Carcinogen-dna adduct]]~~	+
-	~~[[Category: Dna~~]]	+

OCA at 07:30, 7 April 2021

OCA — Wed, 07 Apr 2021 07:30:15 GMT

←Older revision		Revision as of 07:30, 7 April 2021
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	<StructureSection load='1hx4' size='340' side='right'caption='[[1hx4]], [[NMR_Ensembles_of_Models \| 9 NMR models]]' scene=''>		<StructureSection load='1hx4' size='340' side='right'caption='[[1hx4]], [[NMR_Ensembles_of_Models \| 9 NMR models]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1hx4]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HX4 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1HX4 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1hx4]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HX4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1HX4 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BPJ:(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL'>BPJ</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BPJ:(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL'>BPJ</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hwv\|1hwv]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1hwv\|1hwv]]</div></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=1hx4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hx4 OCA], [~~http~~://pdbe.org/1hx4 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1hx4 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1hx4 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1hx4 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=1hx4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hx4 OCA], [https://pdbe.org/1hx4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1hx4 RCSB], [https://www.ebi.ac.uk/pdbsum/1hx4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1hx4 ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 07:49, 3 July 2019

OCA — Wed, 03 Jul 2019 07:49:15 GMT

←Older revision		Revision as of 07:49, 3 July 2019
Line 1:		Line 1:

	==MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY==		==MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY==
-	<StructureSection load='1hx4' size='340' side='right' caption='[[1hx4]], [[NMR_Ensembles_of_Models \| 9 NMR models]]' scene=''>	+	<StructureSection load='1hx4' size='340' side='right'caption='[[1hx4]], [[NMR_Ensembles_of_Models \| 9 NMR models]]' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1hx4]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HX4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1HX4 FirstGlance]. <br>		<table><tr><td colspan='2'>[[1hx4]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HX4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1HX4 FirstGlance]. <br>
Line 21:		Line 21:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Amin, S]]		[[Category: Amin, S]]
	[[Category: Broyde, S]]		[[Category: Broyde, S]]

OCA at 10:49, 27 September 2017

OCA — Wed, 27 Sep 2017 10:49:54 GMT

←Older revision		Revision as of 10:49, 27 September 2017
Line 1:		Line 1:
		+
	==MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY==		==MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY==
	<StructureSection load='1hx4' size='340' side='right' caption='[[1hx4]], [[NMR_Ensembles_of_Models \| 9 NMR models]]' scene=''>		<StructureSection load='1hx4' size='340' side='right' caption='[[1hx4]], [[NMR_Ensembles_of_Models \| 9 NMR models]]' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BPJ:(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL'>BPJ</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BPJ:(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL'>BPJ</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hwv\|1hwv]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hwv\|1hwv]]</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=1hx4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hx4 OCA], [http://pdbe.org/1hx4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1hx4 RCSB], [http://www.ebi.ac.uk/pdbsum/1hx4 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=1hx4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hx4 OCA], [http://pdbe.org/1hx4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1hx4 RCSB], [http://www.ebi.ac.uk/pdbsum/1hx4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1hx4 ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 05:02, 11 September 2015

OCA — Fri, 11 Sep 2015 05:02:05 GMT

←Older revision		Revision as of 05:02, 11 September 2015
Line 5:		Line 5:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BPJ:(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL'>BPJ</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BPJ:(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL'>BPJ</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hwv\|1hwv]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hwv\|1hwv]]</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=1hx4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hx4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1hx4 RCSB], [http://www.ebi.ac.uk/pdbsum/1hx4 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=1hx4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hx4 OCA], [http://pdbe.org/1hx4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1hx4 RCSB], [http://www.ebi.ac.uk/pdbsum/1hx4 PDBsum]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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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 1hx4" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 09:45, 2 January 2015

OCA — Fri, 02 Jan 2015 09:45:05 GMT

←Older revision		Revision as of 09:45, 2 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1hx4]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HX4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1HX4 FirstGlance]. <br>		<table><tr><td colspan='2'>[[1hx4]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HX4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1HX4 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BPJ:(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL'>BPJ</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BPJ:(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL'>BPJ</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hwv\|1hwv]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hwv\|1hwv]]</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=1hx4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hx4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1hx4 RCSB], [http://www.ebi.ac.uk/pdbsum/1hx4 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=1hx4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hx4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1hx4 RCSB], [http://www.ebi.ac.uk/pdbsum/1hx4 PDBsum]</span></td></tr>
-	<table>	+	</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 19:		Line 19:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Amin, S.]]	+	[[Category: Amin, S]]
-	[[Category: Broyde, S.]]	+	[[Category: Broyde, S]]
-	[[Category: Geacintov, N E.]]	+	[[Category: Geacintov, N E]]
-	[[Category: Hingerty, B E.]]	+	[[Category: Hingerty, B E]]
-	[[Category: Huang, X.]]	+	[[Category: Huang, X]]
-	[[Category: Kolbanovskii, A.]]	+	[[Category: Kolbanovskii, A]]
-	[[Category: Lin, C H.]]	+	[[Category: Lin, C H]]
-	[[Category: Patel, D J.]]	+	[[Category: Patel, D J]]
	[[Category: 1r-trans-anti-bph-n2-g adduct]]		[[Category: 1r-trans-anti-bph-n2-g adduct]]
	[[Category: Carcinogen-dna adduct]]		[[Category: Carcinogen-dna adduct]]
	[[Category: Dna]]		[[Category: Dna]]

OCA at 05:47, 8 June 2014

OCA — Sun, 08 Jun 2014 05:47:56 GMT

←Older revision		Revision as of 05:47, 8 June 2014
Line 1:		Line 1:
-	[[~~Image:~~1hx4.~~png~~\|~~left~~\|~~200px~~]]	+	==MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY==
		+	<StructureSection load='1hx4' size='340' side='right' caption='[[1hx4]], [[NMR_Ensembles_of_Models \| 9 NMR models]]' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1hx4]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HX4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1HX4 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BPJ:(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL'>BPJ</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hwv\|1hwv]]</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=1hx4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hx4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1hx4 RCSB], [http://www.ebi.ac.uk/pdbsum/1hx4 PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	We report below on the solution structures of stereoisomeric "fjord" region trans-anti-benzo[c]phenanthrene-N2-guanine (designated (BPh)G) adducts positioned opposite cytosine within the (C-(BPh)G-C).(G-C-G) sequence context. We observe intercalation of the phenanthrenyl ring with stereoisomer-dependent directionality, without disruption of the modified (BPh)G.C base-pair. Intercalation occurs to the 5' side of the modified strand for the 1S stereoisomeric adduct and to the 3' side for the 1R stereoisomeric adduct, with the S and R-trans-isomers related to one another by inversion in a mirror plane at all four chiral carbon atoms on the benzylic ring. Intercalation of the fjord region BPh ring into the helix without disruption of the modified base-pair is achieved through buckling of the (BPh)G.C base-pair, displacement of the linkage bond from the plane of the (BPh)G base, adaptation of a chair pucker by the BPh benzylic ring and the propeller-like deviation from planarity of the BPh phenanthrenyl ring. It is noteworthy that intercalation without base-pair disruption occurs from the minor groove side for S and R-trans-anti BPh-N2-guanine adducts opposite C, in contrast to our previous demonstration of intercalation without modified base-pair disruption from the major groove side for S and R-trans-anti BPh-N6-adenine adducts opposite T. Further, these results on fjord region 1S and 1R-trans-anti (BPh)G adducts positioned opposite C are in striking contrast to earlier research with "bay" region benzo[a]pyrene-N2-guanine (designated (BP)G) adducts positioned opposite cytosine, where 10S and 10R-trans-anti stereoisomers were positioned with opposite directionality in the minor groove without modified base-pair disruption. They also are in contrast to the 10S and 10R-cis-anti stereoisomers of (BP)G adducts opposite C, where the pyrenyl ring is intercalated into the helix with directionality, but the modified base and its partner on the opposite strand are displaced out of the helix. These results are especially significant given the known greater tumorigenic potential of fjord region compared to bay region polycyclic aromatic hydrocarbons. The tumorigenic potential has been linked to repair efficiency such that bay region adducts can be readily repaired while their fjord region counterparts are refractory to repair. Our structural results propose a link between DNA adduct conformation and repair-dependent mutagenic activity, which could ultimately translate into structure-dependent differences in tumorigenic activities. We propose that the fjord region minor groove-linked BPh-N2-guanine and major groove-linked BPh-N6-adenine adducts are refractory to repair based on our observations that the phenanthrenyl ring intercalates into the helix without modified base-pair disruption. The helix is therefore minimally perturbed and the phenanthrenyl ring is not available for recognition by the repair machinery. By contrast, the bay region BP-N2-G adducts are susceptible to repair, since the repair machinery can recognize either the pyrenyl ring positioned in the minor groove for the trans-anti groove-aligned stereoisomers, or the disrupted modified base-pair for the cis-anti base-displaced intercalated stereoisomers.

-	~~{{STRUCTURE_1hx4\| PDB=1hx4 \| SCENE= }}~~	+	Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity.,Lin CH, Huang X, Kolbanovskii A, Hingerty BE, Amin S, Broyde S, Geacintov NE, Patel DJ J Mol Biol. 2001 Mar 9;306(5):1059-80. PMID:11237618<ref>PMID:11237618</ref>

-	~~===MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_11237618}}~~	+	== References ==
-		+	<references/>
-	~~==About this Structure==~~	+	__TOC__
-	~~[[1hx4]] is~~ a ~~2 chain structure~~. ~~Full experimental information is available from [http://oca~~.~~weizmann~~.~~ac.il~~/~~oca-bin/ocashort?id=1HX4 OCA].~~	+	</StructureSection>
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:011237618<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Amin, S.]]		[[Category: Amin, S.]]
	[[Category: Broyde, S.]]		[[Category: Broyde, S.]]

OCA: Protected "1hx4" [edit=sysop:move=sysop]

OCA — Tue, 14 Aug 2012 16:36:27 GMT

Protected "1hx4" [edit=sysop:move=sysop]

←Older revision

Revision as of 16:36, 14 August 2012

OCA at 16:36, 14 August 2012

OCA — Tue, 14 Aug 2012 16:36:25 GMT

←Older revision		Revision as of 16:36, 14 August 2012
Line 1:		Line 1:
-	{{Seed}}
	[[Image:1hx4.png\|left\|200px]]		[[Image:1hx4.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_1hx4", 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_1hx4\| PDB=1hx4 \| SCENE= }}		{{STRUCTURE_1hx4\| PDB=1hx4 \| SCENE= }}

	===MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY===		===MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_11237618}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 11237618 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_11237618}}		{{ABSTRACT_PUBMED_11237618}}

	==About this Structure==		==About this Structure==
-	Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HX4 OCA].	+	[[1hx4]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HX4 OCA].

	==Reference==		==Reference==
-	Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity., Lin CH, Huang X, Kolbanovskii A, Hingerty BE, Amin S, Broyde S, Geacintov NE, Patel DJ, J Mol Biol. 2001 Mar 9;306(5):1059-80. PMID:~~[http://www.ncbi.nlm.nih.gov~~/~~pubmed~~/~~11237618 11237618]~~	+	<ref group="xtra">PMID:011237618</ref><references group="xtra"/>
	[[Category: Amin, S.]]		[[Category: Amin, S.]]
	[[Category: Broyde, S.]]		[[Category: Broyde, S.]]
Line 34:		Line 22:
	[[Category: 1r-trans-anti-bph-n2-g adduct]]		[[Category: 1r-trans-anti-bph-n2-g adduct]]
	[[Category: Carcinogen-dna adduct]]		[[Category: Carcinogen-dna adduct]]
-		+	[[Category: Dna]]
-	~~''Page seeded by~~ [~~http~~:~~//oca.weizmann.ac.il/oca OCA~~ ] ~~on Tue Jul 1 10:03:29 2008''~~	+

OCA at 07:03, 1 July 2008

OCA — Tue, 01 Jul 2008 07:03:30 GMT

←Older revision		Revision as of 07:03, 1 July 2008
Line 1:		Line 1:
-	[[Image:1hx4.~~gif~~\|left\|200px]]	+	{{Seed}}
		+	[[Image:1hx4.png\|left\|200px]]

	<!--		<!--
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	{{STRUCTURE_1hx4\| PDB=1hx4 \| SCENE= }}		{{STRUCTURE_1hx4\| PDB=1hx4 \| SCENE= }}

-	~~'''~~MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY~~'''~~	+	===MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY===


-	~~==Overview==~~	+	<!--
-	~~We report~~ below on the solution structures of stereoisomeric "fjord" region trans-anti-benzo[c]phenanthrene-N2-guanine (designated (BPh)G) adducts positioned opposite cytosine within the (C-(BPh)G-C).(G-C-G) sequence context. We observe intercalation of the phenanthrenyl ring with stereoisomer-dependent directionality, ~~without disruption of the modified (BPh)G.C base-pair. Intercalation occurs to the 5' side of the modified strand for the 1S stereoisomeric adduct and to the 3' side for the 1R stereoisomeric adduct~~, ~~with~~ the ~~S and R-trans-isomers related~~ to one another by inversion in a mirror plane at all four chiral carbon atoms on the benzylic ring. Intercalation of the fjord region BPh ring into the helix without disruption of the modified base-pair is achieved through buckling of the (~~BPh)G~~.C base-pair, displacement of the linkage bond from the plane of the (BPh)G base, adaptation of a chair pucker by the BPh benzylic ring and the propeller-like deviation from planarity of the BPh phenanthrenyl ring. It is noteworthy that intercalation without base-pair disruption occurs from the minor groove side for S and R-trans-anti BPh-N2-guanine adducts opposite C, in contrast to our previous demonstration of intercalation without modified base-pair disruption from the major groove side for S and R-trans-anti BPh-N6-adenine adducts opposite T. Further, these results on fjord region 1S and 1R-trans-anti (BPh)~~G adducts positioned opposite C are in striking contrast to earlier research with "bay" region benzo[a]pyrene-N2-guanine (designated (BP)G) adducts positioned opposite cytosine~~, where 10S and 10R-trans-anti stereoisomers were positioned with opposite directionality in the minor groove without modified base-pair disruption. They also are in contrast to the 10S and 10R-cis-anti stereoisomers of (BP)G adducts opposite C, where the pyrenyl ring is ~~intercalated into~~ the ~~helix with directionality, but the modified base and its partner on the opposite strand are displaced out of the helix~~. These results are especially significant given the known greater tumorigenic potential of fjord region compared to bay region polycyclic aromatic hydrocarbons. The tumorigenic potential has been linked to repair efficiency such that bay region adducts can be readily repaired while their fjord region counterparts are refractory to repair. Our structural results propose a link between DNA adduct conformation and repair-~~dependent mutagenic activity, which could ultimately translate into structure~~-dependent differences in tumorigenic activities. We propose that the fjord region minor groove-linked BPh-N2-guanine and major groove-linked BPh-N6-adenine adducts are refractory to repair based on our observations that the phenanthrenyl ring intercalates into the helix without modified base-pair disruption. The helix is therefore minimally perturbed and the phenanthrenyl ring is not available for recognition by the repair machinery. By contrast, the bay region BP-N2-G adducts are susceptible to repair, since the repair machinery can recognize either the pyrenyl ring positioned in the minor groove for the trans-anti groove-aligned stereoisomers, or the disrupted modified base-pair for the cis-anti base-displaced intercalated stereoisomers.	+	The line below this paragraph, {{ABSTRACT_PUBMED_11237618}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 11237618 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_11237618}}

	==About this Structure==		==About this Structure==
-	Full ~~crystallographic~~ information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HX4 OCA].	+	Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HX4 OCA].

	==Reference==		==Reference==
Line 30:		Line 34:
	[[Category: 1r-trans-anti-bph-n2-g adduct]]		[[Category: 1r-trans-anti-bph-n2-g adduct]]
	[[Category: Carcinogen-dna adduct]]		[[Category: Carcinogen-dna adduct]]
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Fri May~~ ~~2 19~~:18:55 2008''	+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 10:03:29 2008''