1K5E

Solution Structure of R-styrene Adduct in the Ras61 Sequence

1K5E の概要

• エントリーDOI: 10.2210/pdb1k5e/pdb
• 関連するPDBエントリー: 1K5F
• 分子名称: 5'-D(*CP*GP*GP*AP*CP*(ABR)P*AP*GP*AP*AP*G)-3', 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3' (2 entities in total)
• 機能のキーワード: styrene, dna adduct, solution structure of dna, dna
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 6827.56

構造登録者

Hennard, C.,Finneman, J.,Harris, C.M.,Harris, T.M.,Stone, M.P. (登録日: 2001-10-10, 公開日: 2002-01-23, 最終更新日: 2024-05-22)

主引用文献

Hennard, C.,Finneman, J.,Harris, C.M.,Harris, T.M.,Stone, M.P.
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.
Biochemistry, 40:9780-9791, 2001

PubMed Abstract: 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.

PubMed: 11502171
DOI: 10.1021/bi010564v

実験手法

SOLUTION NMR