1k5f: Difference between revisions

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[[Image:1k5f.gif|left|200px]]
{{Seed}}
[[Image:1k5f.png|left|200px]]


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{{STRUCTURE_1k5f|  PDB=1k5f  |  SCENE=  }}  
{{STRUCTURE_1k5f|  PDB=1k5f  |  SCENE=  }}  


'''SOLUTION STRUCTURE OF THE S-STYRENE ADDUCT IN THE RAS61 SEQUENCE'''
===SOLUTION STRUCTURE OF THE S-STYRENE ADDUCT IN THE RAS61 SEQUENCE===




==Overview==
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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.
The line below this paragraph, {{ABSTRACT_PUBMED_11502171}}, adds the Publication Abstract to the page
(as it appears on PubMed at http://www.pubmed.gov), where 11502171 is the PubMed ID number.
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{{ABSTRACT_PUBMED_11502171}}


==About this Structure==
==About this Structure==
Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1K5F OCA].  
Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1K5F OCA].  


==Reference==
==Reference==
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[[Category: Solution structure of dna]]
[[Category: Solution structure of dna]]
[[Category: Styrene]]
[[Category: Styrene]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 22:19:55 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jul 2 09:48:43 2008''

Revision as of 06:48, 2 July 2008

File:1k5f.png

Template:STRUCTURE 1k5f

SOLUTION STRUCTURE OF THE S-STYRENE ADDUCT IN THE RAS61 SEQUENCE

Template:ABSTRACT PUBMED 11502171

About this Structure

Full experimental information is available from OCA.

Reference

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

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