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==NMR solution structure of an N2-guanine DNA adduct derived from the potent tumorigen dibenzo[a,l]pyrene: Intercalation from the minor groove with ruptured Watson-Crick base pairing==
<StructureSection load='2lzk' size='340' side='right'caption='[[2lzk]]' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2lzk]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2LZK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2LZK FirstGlance]. <br>
</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='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=14L:(11S,12S,13S)-11,12,13,14-TETRAHYDRONAPHTHO[1,2,3,4-PQR]TETRAPHENE-11,12,13-TRIOL'>14L</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=2lzk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2lzk OCA], [https://pdbe.org/2lzk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2lzk RCSB], [https://www.ebi.ac.uk/pdbsum/2lzk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2lzk ProSAT]</span></td></tr>
</table>
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== Publication Abstract from PubMed ==
The most potent tumorigen identified among the polycyclic aromatic hydrocarbons (PAH) is the nonplanar fjord region dibenzo[a,l]pyrene (DB[a,l]P). It is metabolically activated in vivo through the widely studied diol epoxide (DE) pathway to form covalent adducts with DNA bases, predominantly guanine and adenine. The (+)-11S,12R,13R,14S DE enantiomer forms adducts via its C14 position with the exocyclic amino group of guanine. Here, we present the first nuclear magnetic resonance solution structure of a DB[a,l]P-derived adduct, the 14R-(+)-trans-anti-DB[a,l]P-N(2)-dG (DB[a,l]P-dG) lesion in double-stranded DNA. In contrast to the stereochemically identical benzo[a]pyrene-derived N(2)-dG adduct (B[a]P-dG) in which the B[a]P rings reside in the B-DNA minor groove on the 3'-side of the modifed deoxyguanosine, in the DB[a,l]P-derived adduct the DB[a,l]P rings intercalate into the duplex on the 3'-side of the modified base from the sterically crowded minor groove. Watson-Crick base pairing of the modified guanine with the partner cytosine is broken, but these bases retain some stacking with the bulky DB[a,l]P ring system. This new theme in PAH DE-DNA adduct conformation differs from (1) the classical intercalation motif in which Watson-Crick base pairing is intact at the lesion site and (2) the base-displaced intercalation motif in which the damaged base and its partner are extruded from the helix. The structural considerations that lead to the intercalated conformation of the DB[a,l]P-dG lesion in contrast to the minor groove alignment of the B[a]P-dG adduct, and the implications of the DB[a,l]P-dG conformational motif for the recognition of such DNA lesions by the human nucleotide excision repair apparatus, are discussed.

Nuclear Magnetic Resonance Solution Structure of an N(2)-Guanine DNA Adduct Derived from the Potent Tumorigen Dibenzo[a,l]pyrene: Intercalation from the Minor Groove with Ruptured Watson-Crick Base Pairing.,Tang Y, Liu Z, Ding S, Lin CH, Cai Y, Rodriguez FA, Sayer JM, Jerina DM, Amin S, Broyde S, Geacintov NE Biochemistry. 2012 Nov 15. PMID:23121427<ref>PMID:23121427</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Amin S]]
[[Category: Broyde S]]
[[Category: Cai Y]]
[[Category: Ding S]]
[[Category: Geacintov NE]]
[[Category: Jerina DM]]
[[Category: Lin CH]]
[[Category: Liu Z]]
[[Category: Rodriguez FA]]
[[Category: Sayer JM]]
[[Category: Tang Y]]