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New page: left|200px<br /><applet load="1k5e" size="450" color="white" frame="true" align="right" spinBox="true" caption="1k5e" /> '''Solution Structure of R-styrene Adduct in th...
 
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[[Image:1k5e.gif|left|200px]]<br /><applet load="1k5e" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1k5e" />
'''Solution Structure of R-styrene Adduct in the Ras61 Sequence'''<br />


==Overview==
==Solution Structure of R-styrene Adduct in the Ras61 Sequence==
Conformations of (R)-beta-(N(6)-adenyl)styrene oxide and, (S)-beta-(N(6)-adenyl)styrene oxide adducts at position X(6) in, d(CGGACXAGAAG).d(CTTCTTGTCCG), incorporating codons 60, 61 (underlined), and 62 of the human N-ras protooncogene, were refined from (1)H NMR data., These were designated as the beta-R(61,2) and beta-S(61,2) adducts. A, total of 533 distance restraints and 162 dihedral restraints were used for, the molecular dynamics calculations of the beta-S(61,2) adduct, while 518, distances and 163 dihedrals were used for the beta-R(61,2) adduct. The, increased tether length of the beta-adducts results in two significant, changes in adduct structure as compared to the corresponding, alpha-styrenyl adducts [Stone, M. P., and Feng, B. (1996) Magn. Reson., Chem. 34, S105-S114]. First, it reduces the distortion introduced into the, DNA duplex. For both the beta-R(61,2) and beta-S(61,2) adducts, the, styrenyl moiety was positioned in the major groove of the duplex with, little steric hindrance. Second, it mutes the influence of stereochemistry, at the alpha-carbon such that both the beta-R(61,2) and beta-S(61,2), adducts exhibit similar conformations. The results were correlated with, site-specific mutagenesis experiments that revealed the beta-R(61,2) and, beta-S(61,2) adducts were not mutagenic and did not block polymerase, bypass.
<StructureSection load='1k5e' size='340' side='right'caption='[[1k5e]]' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1k5e]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1K5E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1K5E 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=ABR:(R)-(N-PHENYL-2-HYDROXY-ETHYL)-2-DEOXY-ADENOSINE-5-MONOPHOSPHATE'>ABR</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=1k5e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1k5e OCA], [https://pdbe.org/1k5e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1k5e RCSB], [https://www.ebi.ac.uk/pdbsum/1k5e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1k5e ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Conformations of (R)-beta-(N(6)-adenyl)styrene oxide and (S)-beta-(N(6)-adenyl)styrene oxide adducts at position X(6) in d(CGGACXAGAAG).d(CTTCTTGTCCG), incorporating codons 60, 61 (underlined), and 62 of the human N-ras protooncogene, were refined from (1)H NMR data. These were designated as the beta-R(61,2) and beta-S(61,2) adducts. A total of 533 distance restraints and 162 dihedral restraints were used for the molecular dynamics calculations of the beta-S(61,2) adduct, while 518 distances and 163 dihedrals were used for the beta-R(61,2) adduct. The increased tether length of the beta-adducts results in two significant changes in adduct structure as compared to the corresponding alpha-styrenyl adducts [Stone, M. P., and Feng, B. (1996) Magn. Reson. Chem. 34, S105-S114]. First, it reduces the distortion introduced into the DNA duplex. For both the beta-R(61,2) and beta-S(61,2) adducts, the styrenyl moiety was positioned in the major groove of the duplex with little steric hindrance. Second, it mutes the influence of stereochemistry at the alpha-carbon such that both the beta-R(61,2) and beta-S(61,2) adducts exhibit similar conformations. The results were correlated with site-specific mutagenesis experiments that revealed the beta-R(61,2) and beta-S(61,2) adducts were not mutagenic and did not block polymerase bypass.


==About this Structure==
The nonmutagenic (R)- and (S)-beta-(N(6)-adenyl)styrene oxide adducts are oriented in the major groove and show little perturbation to DNA structure.,Hennard C, Finneman J, Harris CM, Harris TM, Stone MP Biochemistry. 2001 Aug 21;40(33):9780-91. PMID:11502171<ref>PMID:11502171</ref>
1K5E is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1K5E OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
The nonmutagenic (R)- and (S)-beta-(N(6)-adenyl)styrene oxide adducts are oriented in the major groove and show little perturbation to DNA structure., Hennard C, Finneman J, Harris CM, Harris TM, Stone MP, Biochemistry. 2001 Aug 21;40(33):9780-91. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11502171 11502171]
</div>
[[Category: Protein complex]]
<div class="pdbe-citations 1k5e" style="background-color:#fffaf0;"></div>
[[Category: Finneman, J.]]
== References ==
[[Category: Harris, C.M.]]
<references/>
[[Category: Harris, T.M.]]
__TOC__
[[Category: Hennard, C.]]
</StructureSection>
[[Category: Stone, M.P.]]
[[Category: Large Structures]]
[[Category: dna adduct]]
[[Category: Finneman J]]
[[Category: solution structure of dna]]
[[Category: Harris CM]]
[[Category: styrene]]
[[Category: Harris TM]]
 
[[Category: Hennard C]]
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sun Nov 25 00:47:14 2007''
[[Category: Stone MP]]
Retrieved from "https://proteopedia.org/1k5e"