1k5e: Difference between revisions

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[[Image:1k5e.png|left|200px]]
==Solution Structure of R-styrene Adduct in the Ras61 Sequence==
<StructureSection load='1k5e' size='340' side='right' caption='[[1k5e]], [[NMR_Ensembles_of_Models | 1 NMR models]]' 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 [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1K5E FirstGlance]. <br>
</td></tr><tr><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ABR:(R)-(N-PHENYL-2-HYDROXY-ETHYL)-2-DEOXY-ADENOSINE-5-MONOPHOSPHATE'>ABR</scene></td></tr>
<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1k5f|1k5f]]</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=1k5e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1k5e OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1k5e RCSB], [http://www.ebi.ac.uk/pdbsum/1k5e PDBsum]</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.


{{STRUCTURE_1k5e|  PDB=1k5e  |  SCENE=  }}
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>


===Solution Structure of R-styrene Adduct in the Ras61 Sequence===
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 
</div>
{{ABSTRACT_PUBMED_11502171}}
== References ==
 
<references/>
==About this Structure==
__TOC__
[[1k5e]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1K5E OCA].
</StructureSection>
[[Category: Finneman, J.]]
[[Category: Finneman, J.]]
[[Category: Harris, C M.]]
[[Category: Harris, C M.]]